N-[[4-(aminomethyl)phenyl]methyl]-3-pyrazol-1-ylpropanamide

C14H18N4O — CID 81089925

IUPACN-[[4-(aminomethyl)phenyl]methyl]-3-pyrazol-1-ylpropanamide
SMILESNCc1ccc(CNC(=O)CCn2cccn2)cc1
InChIInChI=1S/C14H18N4O/c15-10-12-2-4-13(5-3-12)11-16-14(19)6-9-18-8-1-7-17-18/h1-5,7-8H,6,9-11,15H2,(H,16,19)
InChIKeyQTJJLUQXVQVFEV-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.05
Rot. Bonds6

About N-[[4-(aminomethyl)phenyl]methyl]-3-pyrazol-1-ylpropanamide

N-[[4-(aminomethyl)phenyl]methyl]-3-pyrazol-1-ylpropanamide (PubChem CID 81089925) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-3-pyrazol-1-ylpropanamide
PubChem CID81089925
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-3-pyrazol-1-ylpropanamide
SMILESNCc1ccc(CNC(=O)CCn2cccn2)cc1
InChIInChI=1S/C14H18N4O/c15-10-12-2-4-13(5-3-12)11-16-14(19)6-9-18-8-1-7-17-18/h1-5,7-8H,6,9-11,15H2,(H,16,19)
InChIKeyQTJJLUQXVQVFEV-UHFFFAOYSA-N
XLogP1.05
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-2-pyrazol-1-ylacetamide
CID 81090478
4-[(4-pyrazol-1-ylbutanoylamino)methyl]benzoic acid
CID 119353286
3-pyrazol-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 61004651
N-[[4-(aminomethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 74247536
3-(4-methylpyrazol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 87042762
N-(3-amino-2,2-difluoropropyl)-3-pyrazol-1-ylpropanamide
CID 114383611
3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 60982939
N-[2-(2,6-dimethylphenoxy)ethyl]-3-pyrazol-1-ylpropanamide
CID 47036492
2-methylsulfanyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 47125027
3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzamide
CID 54951124
N-[[4-(aminomethyl)phenyl]methyl]heptanamide
CID 114751908
3-pyrazol-1-yl-N-(2-sulfamoylethyl)propanamide
CID 61130673

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-3-pyrazol-1-ylpropanamide (CID 81089925) is N-[[4-(aminomethyl)phenyl]methyl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-3-pyrazol-1-ylpropanamide is NCc1ccc(CNC(=O)CCn2cccn2)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-3-pyrazol-1-ylpropanamide?
The InChIKey is QTJJLUQXVQVFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-10-12-2-4-13(5-3-12)11-16-14(19)6-9-18-8-1-7-17-18/h1-5,7-8H,6,9-11,15H2,(H,16,19).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-3-pyrazol-1-ylpropanamide?
N-[[4-(aminomethyl)phenyl]methyl]-3-pyrazol-1-ylpropanamide has a molecular weight of 258.32 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 81089925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).