(2S,3S)-2-amino-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide

C16H22N4O — CID 61179643

IUPAC(2S,3S)-2-amino-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1ccccc1Cn1cccn1
InChIInChI=1S/C16H22N4O/c1-3-12(2)15(17)16(21)19-14-8-5-4-7-13(14)11-20-10-6-9-18-20/h4-10,12,15H,3,11,17H2,1-2H3,(H,19,21)/t12-,15-/m0/s1
InChIKeyXETAOHCGCOCSSP-WFASDCNBSA-N
MW286.38 g/mol
LogP2.24
Rot. Bonds6

About (2S,3S)-2-amino-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide

(2S,3S)-2-amino-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide (PubChem CID 61179643) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide
PubChem CID61179643
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name(2S,3S)-2-amino-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1ccccc1Cn1cccn1
InChIInChI=1S/C16H22N4O/c1-3-12(2)15(17)16(21)19-14-8-5-4-7-13(14)11-20-10-6-9-18-20/h4-10,12,15H,3,11,17H2,1-2H3,(H,19,21)/t12-,15-/m0/s1
InChIKeyXETAOHCGCOCSSP-WFASDCNBSA-N
XLogP2.24
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 43705539
2-amino-N-(2-ethylphenyl)-3-methylpentanamide
CID 24700876
(2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-ylphenyl)pentanamide
CID 61178018
2-amino-N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide
CID 119752267
(2S)-2-amino-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 61172469
methyl 2-[2-(pyrazol-1-ylmethyl)anilino]propanoate
CID 66173912
2-(butan-2-ylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 60852301
(2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 61180684
2-amino-N-(2-benzylphenyl)-3-methylpentanamide
CID 24700723
2-amino-N-[2-(diethylaminomethyl)phenyl]-3-methylpentanamide
CID 43712488
2-amino-N-(2-fluorophenyl)-3-methylpentanamide
CID 24698442
(2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 119275741

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide (CID 61179643) is (2S,3S)-2-amino-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide is CC[C@H](C)[C@H](N)C(=O)Nc1ccccc1Cn1cccn1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide?
The InChIKey is XETAOHCGCOCSSP-WFASDCNBSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-12(2)15(17)16(21)19-14-8-5-4-7-13(14)11-20-10-6-9-18-20/h4-10,12,15H,3,11,17H2,1-2H3,(H,19,21)/t12-,15-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide?
(2S,3S)-2-amino-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide has a molecular weight of 286.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide is sourced from PubChem (CID 61179643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).