2,4,4-trimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine

C18H25N3 — CID 106662367

IUPAC2,4,4-trimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine
SMILESCC1CC(C)(C)CC1NCc1ccccc1-n1cccn1
InChIInChI=1S/C18H25N3/c1-14-11-18(2,3)12-16(14)19-13-15-7-4-5-8-17(15)21-10-6-9-20-21/h4-10,14,16,19H,11-13H2,1-3H3
InChIKeyIHBRLUCUMYWCDG-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.79
Rot. Bonds4

About 2,4,4-trimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine

2,4,4-trimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine (PubChem CID 106662367) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine
PubChem CID106662367
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2,4,4-trimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine
SMILESCC1CC(C)(C)CC1NCc1ccccc1-n1cccn1
InChIInChI=1S/C18H25N3/c1-14-11-18(2,3)12-16(14)19-13-15-7-4-5-8-17(15)21-10-6-9-20-21/h4-10,14,16,19H,11-13H2,1-3H3
InChIKeyIHBRLUCUMYWCDG-UHFFFAOYSA-N
XLogP3.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine (CID 106662367) is 2,4,4-trimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine is CC1CC(C)(C)CC1NCc1ccccc1-n1cccn1.
What is the InChIKey of 2,4,4-trimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine?
The InChIKey is IHBRLUCUMYWCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14-11-18(2,3)12-16(14)19-13-15-7-4-5-8-17(15)21-10-6-9-20-21/h4-10,14,16,19H,11-13H2,1-3H3.
What are the key properties of 2,4,4-trimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine?
2,4,4-trimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 106662367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).