3-cyclopentyl-1-[(3-methylphenyl)methyl]pyrazol-4-amine

C16H21N3 — CID 83222255

IUPAC3-cyclopentyl-1-[(3-methylphenyl)methyl]pyrazol-4-amine
SMILESCc1cccc(Cn2cc(N)c(C3CCCC3)n2)c1
InChIInChI=1S/C16H21N3/c1-12-5-4-6-13(9-12)10-19-11-15(17)16(18-19)14-7-2-3-8-14/h4-6,9,11,14H,2-3,7-8,10,17H2,1H3
InChIKeyYCXAEKUTOKCFHA-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.48
Rot. Bonds3

About 3-cyclopentyl-1-[(3-methylphenyl)methyl]pyrazol-4-amine

3-cyclopentyl-1-[(3-methylphenyl)methyl]pyrazol-4-amine (PubChem CID 83222255) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 3-cyclopentyl-1-[(3-methylphenyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name3-cyclopentyl-1-[(3-methylphenyl)methyl]pyrazol-4-amine
PubChem CID83222255
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name3-cyclopentyl-1-[(3-methylphenyl)methyl]pyrazol-4-amine
SMILESCc1cccc(Cn2cc(N)c(C3CCCC3)n2)c1
InChIInChI=1S/C16H21N3/c1-12-5-4-6-13(9-12)10-19-11-15(17)16(18-19)14-7-2-3-8-14/h4-6,9,11,14H,2-3,7-8,10,17H2,1H3
InChIKeyYCXAEKUTOKCFHA-UHFFFAOYSA-N
XLogP3.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-1-[(2-methylphenyl)methyl]pyrazol-4-amine
CID 83222334
3-cyclohexyl-1-ethylpyrazol-4-amine
CID 83217071
3-(2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 83204094
3-(4-bromophenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 83205131
1-[(3-methylphenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83222416
1-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)pyrazol-4-amine
CID 106758609
3-(furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 83223400
1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 7017120
6-[(3-methylphenyl)methyl]-2,3,4,4a,5,7-hexahydropyrrolo[3,4-b]pyridine
CID 123403023
(3aS,7aR)-2-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 17023712
4-bromo-3-iodo-1-[(3-methylphenyl)methyl]pyrazole
CID 79784801
(3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 24904607

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[(3-methylphenyl)methyl]pyrazol-4-amine?
The IUPAC name of 3-cyclopentyl-1-[(3-methylphenyl)methyl]pyrazol-4-amine (CID 83222255) is 3-cyclopentyl-1-[(3-methylphenyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 3-cyclopentyl-1-[(3-methylphenyl)methyl]pyrazol-4-amine?
The canonical SMILES for 3-cyclopentyl-1-[(3-methylphenyl)methyl]pyrazol-4-amine is Cc1cccc(Cn2cc(N)c(C3CCCC3)n2)c1.
What is the InChIKey of 3-cyclopentyl-1-[(3-methylphenyl)methyl]pyrazol-4-amine?
The InChIKey is YCXAEKUTOKCFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-5-4-6-13(9-12)10-19-11-15(17)16(18-19)14-7-2-3-8-14/h4-6,9,11,14H,2-3,7-8,10,17H2,1H3.
What are the key properties of 3-cyclopentyl-1-[(3-methylphenyl)methyl]pyrazol-4-amine?
3-cyclopentyl-1-[(3-methylphenyl)methyl]pyrazol-4-amine has a molecular weight of 255.37 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[(3-methylphenyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 83222255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).