[(1S,3R)-3-[3-[(2-propylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

C19H28N6O3 — CID 170952374

IUPAC[(1S,3R)-3-[3-[(2-propylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCCCn1nccc1C(=O)Nc1cc([C@@H]2CC[C@H](OC(=O)NC(C)C)C2)[nH]n1
InChIInChI=1S/C19H28N6O3/c1-4-9-25-16(7-8-20-25)18(26)22-17-11-15(23-24-17)13-5-6-14(10-13)28-19(27)21-12(2)3/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,21,27)(H2,22,23,24,26)/t13-,14+/m1/s1
InChIKeyAGAVPSOXDVFTGV-KGLIPLIRSA-N
MW388.47 g/mol
LogP3.04
Rot. Bonds7

About [(1S,3R)-3-[3-[(2-propylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

[(1S,3R)-3-[3-[(2-propylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (PubChem CID 170952374) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is [(1S,3R)-3-[3-[(2-propylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(1S,3R)-3-[3-[(2-propylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
PubChem CID170952374
Molecular FormulaC19H28N6O3
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC Name[(1S,3R)-3-[3-[(2-propylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCCCn1nccc1C(=O)Nc1cc([C@@H]2CC[C@H](OC(=O)NC(C)C)C2)[nH]n1
InChIInChI=1S/C19H28N6O3/c1-4-9-25-16(7-8-20-25)18(26)22-17-11-15(23-24-17)13-5-6-14(10-13)28-19(27)21-12(2)3/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,21,27)(H2,22,23,24,26)/t13-,14+/m1/s1
InChIKeyAGAVPSOXDVFTGV-KGLIPLIRSA-N
XLogP3.04
TPSA113.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[(1S,3R)-3-[3-[(2-methylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
CID 154616406
[3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
CID 155025571
[(1R,3S)-3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate
CID 154616537
[3-[3-[(1-methylpyrazolo[5,4-c]pyridin-7-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 167293665
[(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
[(1S,3R)-3-[3-[(5-dimethylphosphoryl-2-pyridinyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 177076434
[(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S,3R)-3-fluorobutan-2-yl]carbamate
CID 154616608
[(1R,3S)-3-[3-[[2-(5-methyl-1,3,4-thiadiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate
CID 154616740
[(1R,3S)-3-[3-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170075539
[3-[3-[(2-methylpyridine-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
CID 155025402
[(1S,3R)-3-[3-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 177076139
[(1R,3S)-3-[3-[[(3S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170070934

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[3-[(2-propylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The IUPAC name of [(1S,3R)-3-[3-[(2-propylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (CID 170952374) is [(1S,3R)-3-[3-[(2-propylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [(1S,3R)-3-[3-[(2-propylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The canonical SMILES for [(1S,3R)-3-[3-[(2-propylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is CCCn1nccc1C(=O)Nc1cc([C@@H]2CC[C@H](OC(=O)NC(C)C)C2)[nH]n1.
What is the InChIKey of [(1S,3R)-3-[3-[(2-propylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The InChIKey is AGAVPSOXDVFTGV-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H28N6O3/c1-4-9-25-16(7-8-20-25)18(26)22-17-11-15(23-24-17)13-5-6-14(10-13)28-19(27)21-12(2)3/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,21,27)(H2,22,23,24,26)/t13-,14+/m1/s1.
What are the key properties of [(1S,3R)-3-[3-[(2-propylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
[(1S,3R)-3-[3-[(2-propylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 388.47 g/mol, XLogP of 3.04, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[3-[(2-propylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 170952374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).