2-amino-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide

C16H22N4O — CID 43705539

IUPAC2-amino-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide
SMILESCC(C)CC(N)C(=O)Nc1ccccc1Cn1cccn1
InChIInChI=1S/C16H22N4O/c1-12(2)10-14(17)16(21)19-15-7-4-3-6-13(15)11-20-9-5-8-18-20/h3-9,12,14H,10-11,17H2,1-2H3,(H,19,21)
InChIKeyRKEMUJMQMDFDOH-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.24
Rot. Bonds6

About 2-amino-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide

2-amino-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide (PubChem CID 43705539) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-amino-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide
PubChem CID43705539
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-amino-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide
SMILESCC(C)CC(N)C(=O)Nc1ccccc1Cn1cccn1
InChIInChI=1S/C16H22N4O/c1-12(2)10-14(17)16(21)19-15-7-4-3-6-13(15)11-20-9-5-8-18-20/h3-9,12,14H,10-11,17H2,1-2H3,(H,19,21)
InChIKeyRKEMUJMQMDFDOH-UHFFFAOYSA-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

(2S,3S)-2-amino-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 61179643
(2R)-2-amino-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 104902970
2-amino-4-methyl-N-(2-propylphenyl)pentanamide
CID 43703952
(2R)-2-amino-4-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 104902926
methyl 2-[2-(pyrazol-1-ylmethyl)anilino]propanoate
CID 66173912
2-amino-4-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 43714222
2-(butan-2-ylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 60852301
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
CID 22691032
2-amino-4-methyl-N-(2-propan-2-ylphenyl)pentanamide
CID 24703772
(2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 119275741
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride
CID 119670479
(2R)-2-amino-4-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 104903679

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide?
The IUPAC name of 2-amino-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide (CID 43705539) is 2-amino-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide.
What is the SMILES notation for 2-amino-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide?
The canonical SMILES for 2-amino-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide is CC(C)CC(N)C(=O)Nc1ccccc1Cn1cccn1.
What is the InChIKey of 2-amino-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide?
The InChIKey is RKEMUJMQMDFDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12(2)10-14(17)16(21)19-15-7-4-3-6-13(15)11-20-9-5-8-18-20/h3-9,12,14H,10-11,17H2,1-2H3,(H,19,21).
What are the key properties of 2-amino-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide?
2-amino-4-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 2-amino-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide is sourced from PubChem (CID 43705539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).