(3S,4S)-4-[[(2S)-2-amino-3-pyrazol-1-ylpropanoyl]amino]-5-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide

C21H37N5O3 — CID 56979695

IUPAC(3S,4S)-4-[[(2S)-2-amino-3-pyrazol-1-ylpropanoyl]amino]-5-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide
SMILESCC(C)CNC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](N)Cn1cccn1
InChIInChI=1S/C21H37N5O3/c1-15(2)13-23-20(28)12-19(27)18(11-16-7-4-3-5-8-16)25-21(29)17(22)14-26-10-6-9-24-26/h6,9-10,15-19,27H,3-5,7-8,11-14,22H2,1-2H3,(H,23,28)(H,25,29)/t17-,18-,19-/m0/s1
InChIKeyWQYNAWNWUGFNDW-FHWLQOOXSA-N
MW407.56 g/mol
LogP1.19
Rot. Bonds11

About (3S,4S)-4-[[(2S)-2-amino-3-pyrazol-1-ylpropanoyl]amino]-5-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide

(3S,4S)-4-[[(2S)-2-amino-3-pyrazol-1-ylpropanoyl]amino]-5-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide (PubChem CID 56979695) has the molecular formula C21H37N5O3 and a molecular weight of 407.56 g/mol. Its IUPAC name is (3S,4S)-4-[[(2S)-2-amino-3-pyrazol-1-ylpropanoyl]amino]-5-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide.

Molecular Properties

Compound Name(3S,4S)-4-[[(2S)-2-amino-3-pyrazol-1-ylpropanoyl]amino]-5-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide
PubChem CID56979695
Molecular FormulaC21H37N5O3
Molecular Weight407.56 g/mol
Exact Mass407.29
IUPAC Name(3S,4S)-4-[[(2S)-2-amino-3-pyrazol-1-ylpropanoyl]amino]-5-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide
SMILESCC(C)CNC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](N)Cn1cccn1
InChIInChI=1S/C21H37N5O3/c1-15(2)13-23-20(28)12-19(27)18(11-16-7-4-3-5-8-16)25-21(29)17(22)14-26-10-6-9-24-26/h6,9-10,15-19,27H,3-5,7-8,11-14,22H2,1-2H3,(H,23,28)(H,25,29)/t17-,18-,19-/m0/s1
InChIKeyWQYNAWNWUGFNDW-FHWLQOOXSA-N
XLogP1.19
TPSA122.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (3S,4S)-4-[[(2S)-2-amino-3-pyrazol-1-ylpropanoyl]amino]-5-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide 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 (3S,4S)-4-[[(2S)-2-amino-3-pyrazol-1-ylpropanoyl]amino]-5-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide?
The IUPAC name of (3S,4S)-4-[[(2S)-2-amino-3-pyrazol-1-ylpropanoyl]amino]-5-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide (CID 56979695) is (3S,4S)-4-[[(2S)-2-amino-3-pyrazol-1-ylpropanoyl]amino]-5-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide.
What is the SMILES notation for (3S,4S)-4-[[(2S)-2-amino-3-pyrazol-1-ylpropanoyl]amino]-5-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide?
The canonical SMILES for (3S,4S)-4-[[(2S)-2-amino-3-pyrazol-1-ylpropanoyl]amino]-5-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide is CC(C)CNC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](N)Cn1cccn1.
What is the InChIKey of (3S,4S)-4-[[(2S)-2-amino-3-pyrazol-1-ylpropanoyl]amino]-5-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide?
The InChIKey is WQYNAWNWUGFNDW-FHWLQOOXSA-N. The full InChI is InChI=1S/C21H37N5O3/c1-15(2)13-23-20(28)12-19(27)18(11-16-7-4-3-5-8-16)25-21(29)17(22)14-26-10-6-9-24-26/h6,9-10,15-19,27H,3-5,7-8,11-14,22H2,1-2H3,(H,23,28)(H,25,29)/t17-,18-,19-/m0/s1.
What are the key properties of (3S,4S)-4-[[(2S)-2-amino-3-pyrazol-1-ylpropanoyl]amino]-5-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide?
(3S,4S)-4-[[(2S)-2-amino-3-pyrazol-1-ylpropanoyl]amino]-5-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide has a molecular weight of 407.56 g/mol, XLogP of 1.19, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[[(2S)-2-amino-3-pyrazol-1-ylpropanoyl]amino]-5-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide is sourced from PubChem (CID 56979695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).