2-(aminomethyl)-4-methyl-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pentanamide

C18H26N4O — CID 86813981

IUPAC2-(aminomethyl)-4-methyl-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pentanamide
SMILESCc1cnn(Cc2ccc(NC(=O)C(CN)CC(C)C)cc2)c1
InChIInChI=1S/C18H26N4O/c1-13(2)8-16(9-19)18(23)21-17-6-4-15(5-7-17)12-22-11-14(3)10-20-22/h4-7,10-11,13,16H,8-9,12,19H2,1-3H3,(H,21,23)
InChIKeyJVKZVUXHFORHMT-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.80
Rot. Bonds7

About 2-(aminomethyl)-4-methyl-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pentanamide

2-(aminomethyl)-4-methyl-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pentanamide (PubChem CID 86813981) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methyl-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-4-methyl-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pentanamide
PubChem CID86813981
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name2-(aminomethyl)-4-methyl-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pentanamide
SMILESCc1cnn(Cc2ccc(NC(=O)C(CN)CC(C)C)cc2)c1
InChIInChI=1S/C18H26N4O/c1-13(2)8-16(9-19)18(23)21-17-6-4-15(5-7-17)12-22-11-14(3)10-20-22/h4-7,10-11,13,16H,8-9,12,19H2,1-3H3,(H,21,23)
InChIKeyJVKZVUXHFORHMT-UHFFFAOYSA-N
XLogP2.80
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxyethyl)-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]urea
CID 111111772
3-[4-[[2-(aminomethyl)-4-methylpentanoyl]amino]phenyl]propanoic acid
CID 115340042
2-(aminomethyl)-N-(1-benzylpyrazol-4-yl)pentanamide
CID 65229818
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)propanamide
CID 19534314
(2R)-2-amino-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 104902970
2-(1-hydroxycyclohexyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]acetamide
CID 111538363
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)propanamide
CID 19534602
1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]ethanone
CID 170580245
2-methyl-N-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 55091573
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526387
2-(aminomethyl)-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide
CID 104618932
5-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
CID 170756022

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methyl-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pentanamide?
The IUPAC name of 2-(aminomethyl)-4-methyl-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pentanamide (CID 86813981) is 2-(aminomethyl)-4-methyl-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pentanamide.
What is the SMILES notation for 2-(aminomethyl)-4-methyl-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pentanamide?
The canonical SMILES for 2-(aminomethyl)-4-methyl-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pentanamide is Cc1cnn(Cc2ccc(NC(=O)C(CN)CC(C)C)cc2)c1.
What is the InChIKey of 2-(aminomethyl)-4-methyl-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pentanamide?
The InChIKey is JVKZVUXHFORHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-13(2)8-16(9-19)18(23)21-17-6-4-15(5-7-17)12-22-11-14(3)10-20-22/h4-7,10-11,13,16H,8-9,12,19H2,1-3H3,(H,21,23).
What are the key properties of 2-(aminomethyl)-4-methyl-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pentanamide?
2-(aminomethyl)-4-methyl-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pentanamide has a molecular weight of 314.43 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methyl-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pentanamide is sourced from PubChem (CID 86813981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).