(3-pyrazol-1-ylphenyl)methanamine;hydrochloride

C10H12ClN3 — CID 52988138

IUPAC(3-pyrazol-1-ylphenyl)methanamine;hydrochloride
SMILESCl.NCc1cccc(-n2cccn2)c1
InChIInChI=1S/C10H11N3.ClH/c11-8-9-3-1-4-10(7-9)13-6-2-5-12-13;/h1-7H,8,11H2;1H
InChIKeyCHGSQBYNAGXXRY-UHFFFAOYSA-N
MW209.68 g/mol
LogP1.75
Rot. Bonds2

About (3-pyrazol-1-ylphenyl)methanamine;hydrochloride

(3-pyrazol-1-ylphenyl)methanamine;hydrochloride (PubChem CID 52988138) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is (3-pyrazol-1-ylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-pyrazol-1-ylphenyl)methanamine;hydrochloride
PubChem CID52988138
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name(3-pyrazol-1-ylphenyl)methanamine;hydrochloride
SMILESCl.NCc1cccc(-n2cccn2)c1
InChIInChI=1S/C10H11N3.ClH/c11-8-9-3-1-4-10(7-9)13-6-2-5-12-13;/h1-7H,8,11H2;1H
InChIKeyCHGSQBYNAGXXRY-UHFFFAOYSA-N
XLogP1.75
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-pyrazol-1-ylphenyl)methylazanium
CID 3258757
(5-pyrazol-1-yl-3-pyridinyl)methanamine;dihydrochloride
CID 121209171
2-[(3-pyrazol-1-ylphenyl)methyl]guanidine
CID 111425032
1-[3-[3,5-bis(3-pyrazol-1-ylphenyl)phenyl]phenyl]pyrazole
CID 138572768
bis((4-pyrazol-1-ylphenyl)methanamine);sulfuric acid
CID 163337704
6-(2-aminoethyl)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine
CID 56712468
1-[(3-fluorophenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine
CID 56897722
ethyl 2-hydroxy-3-(3-pyrazol-1-ylphenyl)propanoate
CID 137463417
N-[(3-pyrazol-1-ylphenyl)methyl]cyclohexanamine
CID 62488878
2-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol
CID 112699473
1-propyl-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111815915
(3S,6S)-1,3,6-trimethyl-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine-2,5-dione
CID 165426894

Frequently Asked Questions

What is the IUPAC name of (3-pyrazol-1-ylphenyl)methanamine;hydrochloride?
The IUPAC name of (3-pyrazol-1-ylphenyl)methanamine;hydrochloride (CID 52988138) is (3-pyrazol-1-ylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (3-pyrazol-1-ylphenyl)methanamine;hydrochloride?
The canonical SMILES for (3-pyrazol-1-ylphenyl)methanamine;hydrochloride is Cl.NCc1cccc(-n2cccn2)c1.
What is the InChIKey of (3-pyrazol-1-ylphenyl)methanamine;hydrochloride?
The InChIKey is CHGSQBYNAGXXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3.ClH/c11-8-9-3-1-4-10(7-9)13-6-2-5-12-13;/h1-7H,8,11H2;1H.
What are the key properties of (3-pyrazol-1-ylphenyl)methanamine;hydrochloride?
(3-pyrazol-1-ylphenyl)methanamine;hydrochloride has a molecular weight of 209.68 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyrazol-1-ylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 52988138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).