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

C16H22N4O — CID 104902970

IUPAC(2R)-2-amino-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C16H22N4O/c1-12(2)10-15(17)16(21)19-14-6-4-13(5-7-14)11-20-9-3-8-18-20/h3-9,12,15H,10-11,17H2,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyDQTXWZPWVHFZQN-OAHLLOKOSA-N
MW286.38 g/mol
LogP2.24
Rot. Bonds6

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

(2R)-2-amino-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide (PubChem CID 104902970) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
PubChem CID104902970
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name(2R)-2-amino-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C16H22N4O/c1-12(2)10-15(17)16(21)19-14-6-4-13(5-7-14)11-20-9-3-8-18-20/h3-9,12,15H,10-11,17H2,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyDQTXWZPWVHFZQN-OAHLLOKOSA-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-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 47353024
2-amino-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 43705539
1-(1-hydroxy-4-methylpentan-2-yl)-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 111424876
(2S)-2-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 119832107
1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 47442545
3-methyl-2-(3-methylbutanoylamino)-N-[4-(pyrazol-1-ylmethyl)phenyl]butanamide
CID 55970952
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43697329
(2R)-2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-4-methylpentanamide
CID 104902669
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 51103750
2-amino-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]butanamide
CID 79804775
N-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18136496

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide (CID 104902970) is (2R)-2-amino-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide is CC(C)C[C@@H](N)C(=O)Nc1ccc(Cn2cccn2)cc1.
What is the InChIKey of (2R)-2-amino-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide?
The InChIKey is DQTXWZPWVHFZQN-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12(2)10-15(17)16(21)19-14-6-4-13(5-7-14)11-20-9-3-8-18-20/h3-9,12,15H,10-11,17H2,1-2H3,(H,19,21)/t15-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide?
(2R)-2-amino-4-methyl-N-[4-(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 (2R)-2-amino-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide is sourced from PubChem (CID 104902970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).