N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide

C14H22N4O2 — CID 67555455

IUPACN-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N[C@@H](CC1CCCCC1)C(N)=O
InChIInChI=1S/C14H22N4O2/c1-18-12(7-8-16-18)14(20)17-11(13(15)19)9-10-5-3-2-4-6-10/h7-8,10-11H,2-6,9H2,1H3,(H2,15,19)(H,17,20)/t11-/m0/s1
InChIKeyJJRZGSNVFBFEPL-NSHDSACASA-N
MW278.36 g/mol
LogP0.97
Rot. Bonds5

About N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide

N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 67555455) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
PubChem CID67555455
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N[C@@H](CC1CCCCC1)C(N)=O
InChIInChI=1S/C14H22N4O2/c1-18-12(7-8-16-18)14(20)17-11(13(15)19)9-10-5-3-2-4-6-10/h7-8,10-11H,2-6,9H2,1H3,(H2,15,19)(H,17,20)/t11-/m0/s1
InChIKeyJJRZGSNVFBFEPL-NSHDSACASA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-2-methylpyrazole-3-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 N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide (CID 67555455) is N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)N[C@@H](CC1CCCCC1)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is JJRZGSNVFBFEPL-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O2/c1-18-12(7-8-16-18)14(20)17-11(13(15)19)9-10-5-3-2-4-6-10/h7-8,10-11H,2-6,9H2,1H3,(H2,15,19)(H,17,20)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide?
N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 67555455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).