N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride

C14H20ClN3 — CID 126963926

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
SMILESCCn1cc(CNCc2ccccc2)c(C)n1.Cl
InChIInChI=1S/C14H19N3.ClH/c1-3-17-11-14(12(2)16-17)10-15-9-13-7-5-4-6-8-13;/h4-8,11,15H,3,9-10H2,1-2H3;1H
InChIKeyURPQQNHDYOZGNH-UHFFFAOYSA-N
MW265.79 g/mol
LogP2.92
Rot. Bonds5

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride (PubChem CID 126963926) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
PubChem CID126963926
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
SMILESCCn1cc(CNCc2ccccc2)c(C)n1.Cl
InChIInChI=1S/C14H19N3.ClH/c1-3-17-11-14(12(2)16-17)10-15-9-13-7-5-4-6-8-13;/h4-8,11,15H,3,9-10H2,1-2H3;1H
InChIKeyURPQQNHDYOZGNH-UHFFFAOYSA-N
XLogP2.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126965255
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]aniline
CID 19614682
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine
CID 19626564
N-benzyl-1-ethyl-3-methylpyrazol-4-amine;hydrochloride
CID 126964772
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine;hydrochloride
CID 126966572
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-phenylpropanamide
CID 19288572
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyl-1-benzofuran-3-yl)methyl]methanamine
CID 167842382
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylaniline
CID 19626104
1-(4-fluorophenyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine
CID 122166228
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine
CID 122167162
N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine;hydrochloride
CID 126963941
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126965532

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride (CID 126963926) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride is CCn1cc(CNCc2ccccc2)c(C)n1.Cl.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride?
The InChIKey is URPQQNHDYOZGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3.ClH/c1-3-17-11-14(12(2)16-17)10-15-9-13-7-5-4-6-8-13;/h4-8,11,15H,3,9-10H2,1-2H3;1H.
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride has a molecular weight of 265.79 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride is sourced from PubChem (CID 126963926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).