3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine

C18H31N3 — CID 64910526

IUPAC3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(Cc2ccn(C3CCCC3)n2)C1C
InChIInChI=1S/C18H31N3/c1-3-11-19-18-9-8-15(14(18)2)13-16-10-12-21(20-16)17-6-4-5-7-17/h10,12,14-15,17-19H,3-9,11,13H2,1-2H3
InChIKeyNRNGXZAFPYPRMU-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.95
Rot. Bonds6

About 3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine

3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine (PubChem CID 64910526) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine
PubChem CID64910526
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(Cc2ccn(C3CCCC3)n2)C1C
InChIInChI=1S/C18H31N3/c1-3-11-19-18-9-8-15(14(18)2)13-16-10-12-21(20-16)17-6-4-5-7-17/h10,12,14-15,17-19H,3-9,11,13H2,1-2H3
InChIKeyNRNGXZAFPYPRMU-UHFFFAOYSA-N
XLogP3.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(1-cyclopentylpyrazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81017300
[2-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylcyclohexyl]methanamine
CID 81011678
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 64799940
3-[(2-chloro-5-methylcyclohexyl)methyl]-1-cyclohexylpyrazole
CID 64778257
1-cyclohexyl-3-ethylpyrazole
CID 66014335
4-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylthiolan-3-amine
CID 83196608
3-[(2-bromocycloheptyl)methyl]-1-cyclopentylpyrazole
CID 64778454
N-[(1-cyclohexylpyrazol-3-yl)methyl]hexan-1-amine
CID 64799565
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-N-propylcyclopentan-1-amine
CID 115334747
2-methyl-3-[(4-methylphenyl)methyl]-N-propylcyclopentan-1-amine
CID 64909011
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine
CID 64800246
4-(1-cyclopentylpyrazol-3-yl)-3-methyl-N-propylbutan-2-amine
CID 64784785

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine?
The IUPAC name of 3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine (CID 64910526) is 3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine is CCCNC1CCC(Cc2ccn(C3CCCC3)n2)C1C.
What is the InChIKey of 3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine?
The InChIKey is NRNGXZAFPYPRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-3-11-19-18-9-8-15(14(18)2)13-16-10-12-21(20-16)17-6-4-5-7-17/h10,12,14-15,17-19H,3-9,11,13H2,1-2H3.
What are the key properties of 3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine?
3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 64910526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).