3-[[(2R)-3-cyclopentyl-2-methylpropanoyl]amino]-1-methylpyrazole-4-carboxamide

C14H22N4O2 — CID 97086806

IUPAC3-[[(2R)-3-cyclopentyl-2-methylpropanoyl]amino]-1-methylpyrazole-4-carboxamide
SMILESC[C@H](CC1CCCC1)C(=O)Nc1nn(C)cc1C(N)=O
InChIInChI=1S/C14H22N4O2/c1-9(7-10-5-3-4-6-10)14(20)16-13-11(12(15)19)8-18(2)17-13/h8-10H,3-7H2,1-2H3,(H2,15,19)(H,16,17,20)/t9-/m1/s1
InChIKeyNJGXYWFCMPDCDC-SECBINFHSA-N
MW278.36 g/mol
LogP1.67
Rot. Bonds5

About 3-[[(2R)-3-cyclopentyl-2-methylpropanoyl]amino]-1-methylpyrazole-4-carboxamide

3-[[(2R)-3-cyclopentyl-2-methylpropanoyl]amino]-1-methylpyrazole-4-carboxamide (PubChem CID 97086806) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-[[(2R)-3-cyclopentyl-2-methylpropanoyl]amino]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[[(2R)-3-cyclopentyl-2-methylpropanoyl]amino]-1-methylpyrazole-4-carboxamide
PubChem CID97086806
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name3-[[(2R)-3-cyclopentyl-2-methylpropanoyl]amino]-1-methylpyrazole-4-carboxamide
SMILESC[C@H](CC1CCCC1)C(=O)Nc1nn(C)cc1C(N)=O
InChIInChI=1S/C14H22N4O2/c1-9(7-10-5-3-4-6-10)14(20)16-13-11(12(15)19)8-18(2)17-13/h8-10H,3-7H2,1-2H3,(H2,15,19)(H,16,17,20)/t9-/m1/s1
InChIKeyNJGXYWFCMPDCDC-SECBINFHSA-N
XLogP1.67
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-3-cyclopentyl-2-methylpropanoyl]amino]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-[[(2R)-3-cyclopentyl-2-methylpropanoyl]amino]-1-methylpyrazole-4-carboxamide (CID 97086806) is 3-[[(2R)-3-cyclopentyl-2-methylpropanoyl]amino]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-[[(2R)-3-cyclopentyl-2-methylpropanoyl]amino]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-[[(2R)-3-cyclopentyl-2-methylpropanoyl]amino]-1-methylpyrazole-4-carboxamide is C[C@H](CC1CCCC1)C(=O)Nc1nn(C)cc1C(N)=O.
What is the InChIKey of 3-[[(2R)-3-cyclopentyl-2-methylpropanoyl]amino]-1-methylpyrazole-4-carboxamide?
The InChIKey is NJGXYWFCMPDCDC-SECBINFHSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9(7-10-5-3-4-6-10)14(20)16-13-11(12(15)19)8-18(2)17-13/h8-10H,3-7H2,1-2H3,(H2,15,19)(H,16,17,20)/t9-/m1/s1.
What are the key properties of 3-[[(2R)-3-cyclopentyl-2-methylpropanoyl]amino]-1-methylpyrazole-4-carboxamide?
3-[[(2R)-3-cyclopentyl-2-methylpropanoyl]amino]-1-methylpyrazole-4-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-3-cyclopentyl-2-methylpropanoyl]amino]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 97086806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).