1-(1-cyclopentylpyrazol-3-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine

C16H25N5 — CID 115885808

IUPAC1-(1-cyclopentylpyrazol-3-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
SMILESCCc1nn(C)cc1CNCc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H25N5/c1-3-16-13(12-20(2)19-16)10-17-11-14-8-9-21(18-14)15-6-4-5-7-15/h8-9,12,15,17H,3-7,10-11H2,1-2H3
InChIKeyYLNYMCZUYYUUCY-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.58
Rot. Bonds6

About 1-(1-cyclopentylpyrazol-3-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine

1-(1-cyclopentylpyrazol-3-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine (PubChem CID 115885808) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrazol-3-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-cyclopentylpyrazol-3-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
PubChem CID115885808
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name1-(1-cyclopentylpyrazol-3-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
SMILESCCc1nn(C)cc1CNCc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H25N5/c1-3-16-13(12-20(2)19-16)10-17-11-14-8-9-21(18-14)15-6-4-5-7-15/h8-9,12,15,17H,3-7,10-11H2,1-2H3
InChIKeyYLNYMCZUYYUUCY-UHFFFAOYSA-N
XLogP2.58
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine
CID 103816376
1-(1-cyclopentylpyrazol-3-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine
CID 103816375
1-(1-cyclohexylpyrazol-3-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 106044924
N-[(2-chlorophenyl)methyl]-1-(1-cyclopentylpyrazol-3-yl)methanamine
CID 64801008
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)methanamine
CID 64801405
1-cyclohexyl-3-ethylpyrazole
CID 66014335
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1-ethylpyrrol-3-yl)methanamine
CID 112668399
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2-dimethylbutan-1-amine
CID 103461395
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]ethanamine
CID 64776990
N-[(1-cyclohexylpyrazol-3-yl)methyl]hexan-1-amine
CID 64799565
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 112549120
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 64800285

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine (CID 115885808) is 1-(1-cyclopentylpyrazol-3-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-cyclopentylpyrazol-3-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1-cyclopentylpyrazol-3-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine is CCc1nn(C)cc1CNCc1ccn(C2CCCC2)n1.
What is the InChIKey of 1-(1-cyclopentylpyrazol-3-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine?
The InChIKey is YLNYMCZUYYUUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-3-16-13(12-20(2)19-16)10-17-11-14-8-9-21(18-14)15-6-4-5-7-15/h8-9,12,15,17H,3-7,10-11H2,1-2H3.
What are the key properties of 1-(1-cyclopentylpyrazol-3-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine?
1-(1-cyclopentylpyrazol-3-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine has a molecular weight of 287.41 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrazol-3-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 115885808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).