N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-phenylmethanamine;hydrochloride

C15H22ClN3 — CID 126967265

IUPACN-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-phenylmethanamine;hydrochloride
SMILESCC(C)c1cc(CNCc2ccccc2)n(C)n1.Cl
InChIInChI=1S/C15H21N3.ClH/c1-12(2)15-9-14(18(3)17-15)11-16-10-13-7-5-4-6-8-13;/h4-9,12,16H,10-11H2,1-3H3;1H
InChIKeyAJDMXDGVVJUJJH-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.26
Rot. Bonds5

About N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-phenylmethanamine;hydrochloride

N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-phenylmethanamine;hydrochloride (PubChem CID 126967265) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-phenylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-phenylmethanamine;hydrochloride
PubChem CID126967265
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC NameN-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-phenylmethanamine;hydrochloride
SMILESCC(C)c1cc(CNCc2ccccc2)n(C)n1.Cl
InChIInChI=1S/C15H21N3.ClH/c1-12(2)15-9-14(18(3)17-15)11-16-10-13-7-5-4-6-8-13;/h4-9,12,16H,10-11H2,1-3H3;1H
InChIKeyAJDMXDGVVJUJJH-UHFFFAOYSA-N
XLogP3.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-phenylmethanamine;hydrochloride?
The IUPAC name of N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-phenylmethanamine;hydrochloride (CID 126967265) is N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-phenylmethanamine;hydrochloride.
What is the SMILES notation for N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-phenylmethanamine;hydrochloride?
The canonical SMILES for N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-phenylmethanamine;hydrochloride is CC(C)c1cc(CNCc2ccccc2)n(C)n1.Cl.
What is the InChIKey of N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-phenylmethanamine;hydrochloride?
The InChIKey is AJDMXDGVVJUJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3.ClH/c1-12(2)15-9-14(18(3)17-15)11-16-10-13-7-5-4-6-8-13;/h4-9,12,16H,10-11H2,1-3H3;1H.
What are the key properties of N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-phenylmethanamine;hydrochloride?
N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-phenylmethanamine;hydrochloride has a molecular weight of 279.81 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-phenylmethanamine;hydrochloride is sourced from PubChem (CID 126967265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).