N-methyl-1-(1-phenylpyrazol-4-yl)methanamine;hydrochloride

C11H14ClN3 — CID 50944354

IUPACN-methyl-1-(1-phenylpyrazol-4-yl)methanamine;hydrochloride
SMILESCNCc1cnn(-c2ccccc2)c1.Cl
InChIInChI=1S/C11H13N3.ClH/c1-12-7-10-8-13-14(9-10)11-5-3-2-4-6-11;/h2-6,8-9,12H,7H2,1H3;1H
InChIKeyLZGVNPXYTRDWIJ-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.01
Rot. Bonds3

About N-methyl-1-(1-phenylpyrazol-4-yl)methanamine;hydrochloride

N-methyl-1-(1-phenylpyrazol-4-yl)methanamine;hydrochloride (PubChem CID 50944354) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is N-methyl-1-(1-phenylpyrazol-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(1-phenylpyrazol-4-yl)methanamine;hydrochloride
PubChem CID50944354
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC NameN-methyl-1-(1-phenylpyrazol-4-yl)methanamine;hydrochloride
SMILESCNCc1cnn(-c2ccccc2)c1.Cl
InChIInChI=1S/C11H13N3.ClH/c1-12-7-10-8-13-14(9-10)11-5-3-2-4-6-11;/h2-6,8-9,12H,7H2,1H3;1H
InChIKeyLZGVNPXYTRDWIJ-UHFFFAOYSA-N
XLogP2.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanamine
CID 818484
1-Phenylpyrazole
CID 70769
1-phenyl-1H-pyrazol-3-amine
CID 594320
4-Bromo-1-phenyl-1H-pyrazole
CID 786811
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
1-benzyl-1H-pyrazol-4-amine
CID 206694
Acetamide, N-(1-phenylpyrazol-4-yl)-
CID 200720
4-(1H-pyrazol-1-ylmethyl)aniline
CID 2764412
1-[2-(1H-pyrazol-1-yl)phenyl]methanamine
CID 7015036

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-phenylpyrazol-4-yl)methanamine;hydrochloride?
The IUPAC name of N-methyl-1-(1-phenylpyrazol-4-yl)methanamine;hydrochloride (CID 50944354) is N-methyl-1-(1-phenylpyrazol-4-yl)methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-(1-phenylpyrazol-4-yl)methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-(1-phenylpyrazol-4-yl)methanamine;hydrochloride is CNCc1cnn(-c2ccccc2)c1.Cl.
What is the InChIKey of N-methyl-1-(1-phenylpyrazol-4-yl)methanamine;hydrochloride?
The InChIKey is LZGVNPXYTRDWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3.ClH/c1-12-7-10-8-13-14(9-10)11-5-3-2-4-6-11;/h2-6,8-9,12H,7H2,1H3;1H.
What are the key properties of N-methyl-1-(1-phenylpyrazol-4-yl)methanamine;hydrochloride?
N-methyl-1-(1-phenylpyrazol-4-yl)methanamine;hydrochloride has a molecular weight of 223.71 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-phenylpyrazol-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 50944354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).