1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]azepan-4-amine

C17H24N4 — CID 65070198

IUPAC1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]azepan-4-amine
SMILESCN1CCCC(NCc2ccccc2-n2cccn2)CC1
InChIInChI=1S/C17H24N4/c1-20-11-4-7-16(9-13-20)18-14-15-6-2-3-8-17(15)21-12-5-10-19-21/h2-3,5-6,8,10,12,16,18H,4,7,9,11,13-14H2,1H3
InChIKeyQELOEQMJVUJSAQ-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.45
Rot. Bonds4

About 1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]azepan-4-amine

1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]azepan-4-amine (PubChem CID 65070198) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]azepan-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]azepan-4-amine
PubChem CID65070198
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]azepan-4-amine
SMILESCN1CCCC(NCc2ccccc2-n2cccn2)CC1
InChIInChI=1S/C17H24N4/c1-20-11-4-7-16(9-13-20)18-14-15-6-2-3-8-17(15)21-12-5-10-19-21/h2-3,5-6,8,10,12,16,18H,4,7,9,11,13-14H2,1H3
InChIKeyQELOEQMJVUJSAQ-UHFFFAOYSA-N
XLogP2.45
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-pyrazol-1-ylphenyl)methyl]cyclooctanamine
CID 61168084
4-N-[(2-pyrazol-1-ylphenyl)methyl]cyclohexane-1,4-diamine
CID 79742029
1-(1-methylpiperidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanamine
CID 62658500
3,5-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
CID 64750644
3,4-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
CID 64744640
3,3-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine
CID 80706227
(3S)-1-[(1S)-1-phenylethyl]-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine
CID 95789191
N-[(2-pyrazol-1-ylphenyl)methyl]thiolan-3-amine
CID 61168288
1-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 65071092
3-ethoxy-N-[(2-pyrazol-1-ylphenyl)methyl]cyclobutan-1-amine
CID 115903723
N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclohexanamine
CID 167824693
7-(4-methylpiperazin-1-yl)-2-[1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-3H-indole
CID 159354006

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]azepan-4-amine?
The IUPAC name of 1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]azepan-4-amine (CID 65070198) is 1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]azepan-4-amine.
What is the SMILES notation for 1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]azepan-4-amine?
The canonical SMILES for 1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]azepan-4-amine is CN1CCCC(NCc2ccccc2-n2cccn2)CC1.
What is the InChIKey of 1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]azepan-4-amine?
The InChIKey is QELOEQMJVUJSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-20-11-4-7-16(9-13-20)18-14-15-6-2-3-8-17(15)21-12-5-10-19-21/h2-3,5-6,8,10,12,16,18H,4,7,9,11,13-14H2,1H3.
What are the key properties of 1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]azepan-4-amine?
1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]azepan-4-amine has a molecular weight of 284.41 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]azepan-4-amine is sourced from PubChem (CID 65070198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).