N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride

C12H16ClN3 — CID 126966764

IUPACN-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
SMILESCl.Cn1cc(CNCc2ccccc2)cn1
InChIInChI=1S/C12H15N3.ClH/c1-15-10-12(9-14-15)8-13-7-11-5-3-2-4-6-11;/h2-6,9-10,13H,7-8H2,1H3;1H
InChIKeyXXCJEJPBZIQPPI-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.13
Rot. Bonds4

About N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride

N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride (PubChem CID 126966764) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
PubChem CID126966764
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
SMILESCl.Cn1cc(CNCc2ccccc2)cn1
InChIInChI=1S/C12H15N3.ClH/c1-15-10-12(9-14-15)8-13-7-11-5-3-2-4-6-11;/h2-6,9-10,13H,7-8H2,1H3;1H
InChIKeyXXCJEJPBZIQPPI-UHFFFAOYSA-N
XLogP2.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-2-phenylethanamine;hydrochloride
CID 126966836
3-[[(1-methylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride
CID 126964493
1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126966319
4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzoic acid
CID 19624593
1-(1-methylpyrazol-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 61350413
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine
CID 54886659
N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 126966027
N-benzyl-1-(1-methylpyrazol-4-yl)propan-2-amine
CID 122157851
N-[(1-methylpyrazol-4-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine
CID 61350621
1-(3,5-dimethylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 54979175
4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzenesulfonamide
CID 28600347
N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 106935175

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride (CID 126966764) is N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride is Cl.Cn1cc(CNCc2ccccc2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride?
The InChIKey is XXCJEJPBZIQPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3.ClH/c1-15-10-12(9-14-15)8-13-7-11-5-3-2-4-6-11;/h2-6,9-10,13H,7-8H2,1H3;1H.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride?
N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride has a molecular weight of 237.73 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride is sourced from PubChem (CID 126966764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).