5-methyl-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-4-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide

C20H28N6O3 — CID 171144664

IUPAC5-methyl-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-4-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)NC2Cc3cc(C(=O)NC(C)C)nn3C2)c1CN1CCCC1
InChIInChI=1S/C20H28N6O3/c1-12(2)21-19(27)17-9-15-8-14(10-26(15)23-17)22-20(28)18-16(13(3)29-24-18)11-25-6-4-5-7-25/h9,12,14H,4-8,10-11H2,1-3H3,(H,21,27)(H,22,28)
InChIKeyDUSLHDVKJFHGST-UHFFFAOYSA-N
MW400.48 g/mol
LogP1.27
Rot. Bonds6

About 5-methyl-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-4-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide

5-methyl-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-4-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 171144664) has the molecular formula C20H28N6O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 5-methyl-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-4-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-4-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID171144664
Molecular FormulaC20H28N6O3
Molecular Weight400.48 g/mol
Exact Mass400.22
IUPAC Name5-methyl-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-4-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)NC2Cc3cc(C(=O)NC(C)C)nn3C2)c1CN1CCCC1
InChIInChI=1S/C20H28N6O3/c1-12(2)21-19(27)17-9-15-8-14(10-26(15)23-17)22-20(28)18-16(13(3)29-24-18)11-25-6-4-5-7-25/h9,12,14H,4-8,10-11H2,1-3H3,(H,21,27)(H,22,28)
InChIKeyDUSLHDVKJFHGST-UHFFFAOYSA-N
XLogP1.27
TPSA105.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-4-(phenoxymethyl)-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-1,2-oxazole-3-carboxamide
CID 171144661
5-[(3-fluoro-4-methylbenzoyl)amino]-N-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
CID 171144674
N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 53014497
5-methyl-4-(morpholin-4-ylmethyl)-N-[(2R)-4-phenylbutan-2-yl]-1,2-oxazole-3-carboxamide
CID 92724963
4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 20949016
5-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 51673725
5-cyclopropyl-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide
CID 171146250
N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 95707736
N-(2-methoxyethyl)-5-[(3-methoxy-2-methylbenzoyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
CID 171144756
N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-3,5-dimethoxybenzamide
CID 98042058
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-methylbutanamide
CID 75527495
(2R)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-methylbutanamide
CID 98042032

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-4-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-4-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide (CID 171144664) is 5-methyl-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-4-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-4-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-4-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)NC2Cc3cc(C(=O)NC(C)C)nn3C2)c1CN1CCCC1.
What is the InChIKey of 5-methyl-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-4-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is DUSLHDVKJFHGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O3/c1-12(2)21-19(27)17-9-15-8-14(10-26(15)23-17)22-20(28)18-16(13(3)29-24-18)11-25-6-4-5-7-25/h9,12,14H,4-8,10-11H2,1-3H3,(H,21,27)(H,22,28).
What are the key properties of 5-methyl-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-4-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide?
5-methyl-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-4-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-4-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 171144664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).