3,3-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine

C17H23N3 — CID 80706227

IUPAC3,3-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine
SMILESCC1(C)CCC(NCc2ccccc2-n2cccn2)C1
InChIInChI=1S/C17H23N3/c1-17(2)9-8-15(12-17)18-13-14-6-3-4-7-16(14)20-11-5-10-19-20/h3-7,10-11,15,18H,8-9,12-13H2,1-2H3
InChIKeySAVHSRLYZFVJTG-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.54
Rot. Bonds4

About 3,3-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine

3,3-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine (PubChem CID 80706227) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine
PubChem CID80706227
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name3,3-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine
SMILESCC1(C)CCC(NCc2ccccc2-n2cccn2)C1
InChIInChI=1S/C17H23N3/c1-17(2)9-8-15(12-17)18-13-14-6-3-4-7-16(14)20-11-5-10-19-20/h3-7,10-11,15,18H,8-9,12-13H2,1-2H3
InChIKeySAVHSRLYZFVJTG-UHFFFAOYSA-N
XLogP3.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-pyrazol-1-ylphenyl)methyl]cyclooctanamine
CID 61168084
2,4,4-trimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine
CID 106662367
4-N-[(2-pyrazol-1-ylphenyl)methyl]cyclohexane-1,4-diamine
CID 79742029
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
N-[(2-pyrazol-1-ylphenyl)methyl]thiolan-3-amine
CID 61168288
1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]azepan-4-amine
CID 65070198
3-ethoxy-N-[(2-pyrazol-1-ylphenyl)methyl]cyclobutan-1-amine
CID 115903723
3,3-dimethyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 81428857
(3S)-1-[(1S)-1-phenylethyl]-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine
CID 95789191
4,4-dimethyl-N-(2-pyrazol-1-ylphenyl)cycloheptan-1-amine
CID 65084094
trans-(1R,2S)-2-ethylsulfanyl-1-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 97022387

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine (CID 80706227) is 3,3-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine is CC1(C)CCC(NCc2ccccc2-n2cccn2)C1.
What is the InChIKey of 3,3-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine?
The InChIKey is SAVHSRLYZFVJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-17(2)9-8-15(12-17)18-13-14-6-3-4-7-16(14)20-11-5-10-19-20/h3-7,10-11,15,18H,8-9,12-13H2,1-2H3.
What are the key properties of 3,3-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine?
3,3-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 80706227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).