1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride

C14H20ClN3 — CID 126966319

IUPAC1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
SMILESCCCn1cc(CNCc2ccccc2)cn1.Cl
InChIInChI=1S/C14H19N3.ClH/c1-2-8-17-12-14(11-16-17)10-15-9-13-6-4-3-5-7-13;/h3-7,11-12,15H,2,8-10H2,1H3;1H
InChIKeyXQFJOOMRQOSXKX-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.00
Rot. Bonds6

About 1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride

1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride (PubChem CID 126966319) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
PubChem CID126966319
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
SMILESCCCn1cc(CNCc2ccccc2)cn1.Cl
InChIInChI=1S/C14H19N3.ClH/c1-2-8-17-12-14(11-16-17)10-15-9-13-6-4-3-5-7-13;/h3-7,11-12,15H,2,8-10H2,1H3;1H
InChIKeyXQFJOOMRQOSXKX-UHFFFAOYSA-N
XLogP3.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride (CID 126966319) is 1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride is CCCn1cc(CNCc2ccccc2)cn1.Cl.
What is the InChIKey of 1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride?
The InChIKey is XQFJOOMRQOSXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3.ClH/c1-2-8-17-12-14(11-16-17)10-15-9-13-6-4-3-5-7-13;/h3-7,11-12,15H,2,8-10H2,1H3;1H.
What are the key properties of 1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride?
1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride has a molecular weight of 265.79 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 126966319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).