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

C16H22N4O — CID 61172469

IUPAC(2S)-2-amino-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C16H22N4O/c1-3-12(2)15(17)16(21)19-14-7-4-6-13(10-14)11-20-9-5-8-18-20/h4-10,12,15H,3,11,17H2,1-2H3,(H,19,21)/t12?,15-/m0/s1
InChIKeyNVAHFLMXQMNKNF-CVRLYYSRSA-N
MW286.38 g/mol
LogP2.24
Rot. Bonds6

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

(2S)-2-amino-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pentanamide (PubChem CID 61172469) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pentanamide
PubChem CID61172469
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name(2S)-2-amino-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C16H22N4O/c1-3-12(2)15(17)16(21)19-14-7-4-6-13(10-14)11-20-9-5-8-18-20/h4-10,12,15H,3,11,17H2,1-2H3,(H,19,21)/t12?,15-/m0/s1
InChIKeyNVAHFLMXQMNKNF-CVRLYYSRSA-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-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43697329
(2S,3S)-2-amino-3-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 61178548
2-phenoxy-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 86929818
2-(4-methylphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 46424038
2-amino-3-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]pentanamide;hydrochloride
CID 119722869
(2S,3S)-2-amino-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 61179643
2-amino-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]pentanamide
CID 119753959
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
ethyl 2-[3-(pyrazol-1-ylmethyl)anilino]propanoate
CID 56805806
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 19564335
N-(4-chlorophenyl)-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide
CID 55629793
methyl N-[3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]phenyl]carbamate
CID 61179978

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pentanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pentanamide (CID 61172469) is (2S)-2-amino-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pentanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pentanamide is CCC(C)[C@H](N)C(=O)Nc1cccc(Cn2cccn2)c1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pentanamide?
The InChIKey is NVAHFLMXQMNKNF-CVRLYYSRSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-12(2)15(17)16(21)19-14-7-4-6-13(10-14)11-20-9-5-8-18-20/h4-10,12,15H,3,11,17H2,1-2H3,(H,19,21)/t12?,15-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pentanamide?
(2S)-2-amino-3-methyl-N-[3-(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)-2-amino-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pentanamide is sourced from PubChem (CID 61172469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).