N-[[4-(aminomethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide

C15H20N4O — CID 74247536

IUPACN-[[4-(aminomethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide
SMILESCn1nccc1CCC(=O)NCc1ccc(CN)cc1
InChIInChI=1S/C15H20N4O/c1-19-14(8-9-18-19)6-7-15(20)17-11-13-4-2-12(10-16)3-5-13/h2-5,8-9H,6-7,10-11,16H2,1H3,(H,17,20)
InChIKeyUNRNAHPKCLABCK-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.13
Rot. Bonds6

About N-[[4-(aminomethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide

N-[[4-(aminomethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide (PubChem CID 74247536) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide
PubChem CID74247536
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide
SMILESCn1nccc1CCC(=O)NCc1ccc(CN)cc1
InChIInChI=1S/C15H20N4O/c1-19-14(8-9-18-19)6-7-15(20)17-11-13-4-2-12(10-16)3-5-13/h2-5,8-9H,6-7,10-11,16H2,1H3,(H,17,20)
InChIKeyUNRNAHPKCLABCK-UHFFFAOYSA-N
XLogP1.13
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 166385837
2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 63302579
N-[[4-(aminomethyl)phenyl]methyl]-3-pyrazol-1-ylpropanamide
CID 81089925
3-(2-aminophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 63303724
2-(4-aminophenyl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 63304660
5-amino-4,4,5-trimethyl-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103023752
5-amino-N-[(2-methylpyrazol-3-yl)methyl]hexanamide
CID 82852042
2-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]phenyl]acetic acid
CID 120537812
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 86979097
N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 118782597
6-[2-(2-methylpyrazol-3-yl)ethylamino]-6-oxohexanoic acid
CID 103004649
N-[[4-(aminomethyl)phenyl]methyl]heptanamide
CID 114751908

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide (CID 74247536) is N-[[4-(aminomethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide is Cn1nccc1CCC(=O)NCc1ccc(CN)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide?
The InChIKey is UNRNAHPKCLABCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-19-14(8-9-18-19)6-7-15(20)17-11-13-4-2-12(10-16)3-5-13/h2-5,8-9H,6-7,10-11,16H2,1H3,(H,17,20).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide?
N-[[4-(aminomethyl)phenyl]methyl]-3-(2-methylpyrazol-3-yl)propanamide has a molecular weight of 272.35 g/mol, XLogP of 1.13, 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-(2-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 74247536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).