N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-carboxamide

C12H14N4O — CID 55180371

IUPACN-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCN(C(=O)c1ccn[nH]1)c1cccc(CN)c1
InChIInChI=1S/C12H14N4O/c1-16(12(17)11-5-6-14-15-11)10-4-2-3-9(7-10)8-13/h2-7H,8,13H2,1H3,(H,14,15)
InChIKeyVSEZQAGYAZRKEQ-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.14
Rot. Bonds3

About N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-carboxamide

N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 55180371) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID55180371
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCN(C(=O)c1ccn[nH]1)c1cccc(CN)c1
InChIInChI=1S/C12H14N4O/c1-16(12(17)11-5-6-14-15-11)10-4-2-3-9(7-10)8-13/h2-7H,8,13H2,1H3,(H,14,15)
InChIKeyVSEZQAGYAZRKEQ-UHFFFAOYSA-N
XLogP1.14
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(aminomethyl)-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide
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N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxy-N-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-carboxamide (CID 55180371) is N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-carboxamide is CN(C(=O)c1ccn[nH]1)c1cccc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is VSEZQAGYAZRKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-16(12(17)11-5-6-14-15-11)10-4-2-3-9(7-10)8-13/h2-7H,8,13H2,1H3,(H,14,15).
What are the key properties of N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-carboxamide?
N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 55180371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).