[(1R,3S)-3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate

C20H28N6O4 — CID 154616537

IUPAC[(1R,3S)-3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate
SMILESCOCCn1nccc1C(=O)Nc1cc([C@H]2CC[C@@H](OC(=O)N3CC[C@@H]3C)C2)[nH]n1
InChIInChI=1S/C20H28N6O4/c1-13-6-8-25(13)20(28)30-15-4-3-14(11-15)16-12-18(24-23-16)22-19(27)17-5-7-21-26(17)9-10-29-2/h5,7,12-15H,3-4,6,8-11H2,1-2H3,(H2,22,23,24,27)/t13-,14-,15+/m0/s1
InChIKeyXZTGQKGZQFXSAQ-SOUVJXGZSA-N
MW416.48 g/mol
LogP2.37
Rot. Bonds7

About [(1R,3S)-3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate

[(1R,3S)-3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate (PubChem CID 154616537) has the molecular formula C20H28N6O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is [(1R,3S)-3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate.

Molecular Properties

Compound Name[(1R,3S)-3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate
PubChem CID154616537
Molecular FormulaC20H28N6O4
Molecular Weight416.48 g/mol
Exact Mass416.22
IUPAC Name[(1R,3S)-3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate
SMILESCOCCn1nccc1C(=O)Nc1cc([C@H]2CC[C@@H](OC(=O)N3CC[C@@H]3C)C2)[nH]n1
InChIInChI=1S/C20H28N6O4/c1-13-6-8-25(13)20(28)30-15-4-3-14(11-15)16-12-18(24-23-16)22-19(27)17-5-7-21-26(17)9-10-29-2/h5,7,12-15H,3-4,6,8-11H2,1-2H3,(H2,22,23,24,27)/t13-,14-,15+/m0/s1
InChIKeyXZTGQKGZQFXSAQ-SOUVJXGZSA-N
XLogP2.37
TPSA114.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(1R,3S)-3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
CID 155025571
[(1R,3S)-3-[3-[(3-methyltriazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate
CID 154616535
[(1S,3R)-3-[3-[(2-propylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170952374
[(1S,3R)-3-[3-[(2-methylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
CID 154616406
[3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] 2-methylazetidine-1-carboxylate
CID 170612441
[(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] (2R)-2-methylazetidine-1-carboxylate
CID 175972510
[(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylpiperidine-1-carboxylate
CID 154616495
[(1R,3S)-3-[3-[(2-methylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(7R)-5-oxaspiro[3.4]octan-7-yl]carbamate
CID 170070950
[(1R,3S)-3-[3-[[2-(2-methoxy-4-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-3-methoxy-2-methylazetidine-1-carboxylate
CID 155041079
[(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S,3S)-2,3-dimethylazetidine-1-carboxylate
CID 170082112
[3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(5-oxaspiro[3.4]octan-7-yl)carbamate
CID 170073133
[(1R,3S)-3-[3-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(7R)-5-oxaspiro[3.4]octan-7-yl]carbamate
CID 170070983

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate?
The IUPAC name of [(1R,3S)-3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate (CID 154616537) is [(1R,3S)-3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate.
What is the SMILES notation for [(1R,3S)-3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate?
The canonical SMILES for [(1R,3S)-3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate is COCCn1nccc1C(=O)Nc1cc([C@H]2CC[C@@H](OC(=O)N3CC[C@@H]3C)C2)[nH]n1.
What is the InChIKey of [(1R,3S)-3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate?
The InChIKey is XZTGQKGZQFXSAQ-SOUVJXGZSA-N. The full InChI is InChI=1S/C20H28N6O4/c1-13-6-8-25(13)20(28)30-15-4-3-14(11-15)16-12-18(24-23-16)22-19(27)17-5-7-21-26(17)9-10-29-2/h5,7,12-15H,3-4,6,8-11H2,1-2H3,(H2,22,23,24,27)/t13-,14-,15+/m0/s1.
What are the key properties of [(1R,3S)-3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate?
[(1R,3S)-3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate has a molecular weight of 416.48 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate is sourced from PubChem (CID 154616537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).