4-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-1,3-dimethylpyrazole-5-carboxamide

C19H27ClN6O3 — CID 162396438

IUPAC4-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C#N)C[C@@H]2CCNC2=O)c1Cl
InChIInChI=1S/C19H27ClN6O3/c1-10(2)7-14(24-19(29)16-15(20)11(3)25-26(16)4)18(28)23-13(9-21)8-12-5-6-22-17(12)27/h10,12-14H,5-8H2,1-4H3,(H,22,27)(H,23,28)(H,24,29)/t12-,13-,14-/m0/s1
InChIKeyUKSIDTWNLGQRED-IHRRRGAJSA-N
MW422.92 g/mol
LogP1.06
Rot. Bonds8

About 4-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-1,3-dimethylpyrazole-5-carboxamide

4-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 162396438) has the molecular formula C19H27ClN6O3 and a molecular weight of 422.92 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-1,3-dimethylpyrazole-5-carboxamide
PubChem CID162396438
Molecular FormulaC19H27ClN6O3
Molecular Weight422.92 g/mol
Exact Mass422.18
IUPAC Name4-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C#N)C[C@@H]2CCNC2=O)c1Cl
InChIInChI=1S/C19H27ClN6O3/c1-10(2)7-14(24-19(29)16-15(20)11(3)25-26(16)4)18(28)23-13(9-21)8-12-5-6-22-17(12)27/h10,12-14H,5-8H2,1-4H3,(H,22,27)(H,23,28)(H,24,29)/t12-,13-,14-/m0/s1
InChIKeyUKSIDTWNLGQRED-IHRRRGAJSA-N
XLogP1.06
TPSA128.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-1,3-dimethylpyrazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-1,3-dimethylpyrazole-5-carboxamide (CID 162396438) is 4-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C#N)C[C@@H]2CCNC2=O)c1Cl.
What is the InChIKey of 4-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is UKSIDTWNLGQRED-IHRRRGAJSA-N. The full InChI is InChI=1S/C19H27ClN6O3/c1-10(2)7-14(24-19(29)16-15(20)11(3)25-26(16)4)18(28)23-13(9-21)8-12-5-6-22-17(12)27/h10,12-14H,5-8H2,1-4H3,(H,22,27)(H,23,28)(H,24,29)/t12-,13-,14-/m0/s1.
What are the key properties of 4-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-1,3-dimethylpyrazole-5-carboxamide?
4-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 422.92 g/mol, XLogP of 1.06, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 162396438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).