N-[2-(aminomethyl)phenyl]-1H-pyrazol-4-amine

C10H12N4 — CID 115017561

IUPACN-[2-(aminomethyl)phenyl]-1H-pyrazol-4-amine
SMILESNCc1ccccc1Nc1cn[nH]c1
InChIInChI=1S/C10H12N4/c11-5-8-3-1-2-4-10(8)14-9-6-12-13-7-9/h1-4,6-7,14H,5,11H2,(H,12,13)
InChIKeyTTXWLDGOUHQXAV-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.61
Rot. Bonds3

About N-[2-(aminomethyl)phenyl]-1H-pyrazol-4-amine

N-[2-(aminomethyl)phenyl]-1H-pyrazol-4-amine (PubChem CID 115017561) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-1H-pyrazol-4-amine
PubChem CID115017561
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC NameN-[2-(aminomethyl)phenyl]-1H-pyrazol-4-amine
SMILESNCc1ccccc1Nc1cn[nH]c1
InChIInChI=1S/C10H12N4/c11-5-8-3-1-2-4-10(8)14-9-6-12-13-7-9/h1-4,6-7,14H,5,11H2,(H,12,13)
InChIKeyTTXWLDGOUHQXAV-UHFFFAOYSA-N
XLogP1.61
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-1H-pyrazol-4-amine?
The IUPAC name of N-[2-(aminomethyl)phenyl]-1H-pyrazol-4-amine (CID 115017561) is N-[2-(aminomethyl)phenyl]-1H-pyrazol-4-amine.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-1H-pyrazol-4-amine?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-1H-pyrazol-4-amine is NCc1ccccc1Nc1cn[nH]c1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-1H-pyrazol-4-amine?
The InChIKey is TTXWLDGOUHQXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c11-5-8-3-1-2-4-10(8)14-9-6-12-13-7-9/h1-4,6-7,14H,5,11H2,(H,12,13).
What are the key properties of N-[2-(aminomethyl)phenyl]-1H-pyrazol-4-amine?
N-[2-(aminomethyl)phenyl]-1H-pyrazol-4-amine has a molecular weight of 188.23 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 115017561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).