N-[(2-chlorophenyl)methyl]-1-(1-cyclopentylpyrazol-3-yl)methanamine

C16H20ClN3 — CID 64801008

IUPACN-[(2-chlorophenyl)methyl]-1-(1-cyclopentylpyrazol-3-yl)methanamine
SMILESClc1ccccc1CNCc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H20ClN3/c17-16-8-4-1-5-13(16)11-18-12-14-9-10-20(19-14)15-6-2-3-7-15/h1,4-5,8-10,15,18H,2-3,6-7,11-12H2
InChIKeyCYTWUUDRCKOVSS-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.94
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-1-(1-cyclopentylpyrazol-3-yl)methanamine

N-[(2-chlorophenyl)methyl]-1-(1-cyclopentylpyrazol-3-yl)methanamine (PubChem CID 64801008) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(1-cyclopentylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(1-cyclopentylpyrazol-3-yl)methanamine
PubChem CID64801008
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(1-cyclopentylpyrazol-3-yl)methanamine
SMILESClc1ccccc1CNCc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H20ClN3/c17-16-8-4-1-5-13(16)11-18-12-14-9-10-20(19-14)15-6-2-3-7-15/h1,4-5,8-10,15,18H,2-3,6-7,11-12H2
InChIKeyCYTWUUDRCKOVSS-UHFFFAOYSA-N
XLogP3.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2-fluorophenyl)ethanamine
CID 64799852
N-[(2-chlorophenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78920973
1-(2-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 64784504
3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylaniline
CID 64801006
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)methanamine
CID 64801405
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine
CID 103816376
1-(1-cyclopentylpyrazol-3-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
CID 115885808
1-(1-cyclohexylpyrazol-3-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 106044924
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2-dimethylbutan-1-amine
CID 103461395
3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylpropan-1-amine
CID 113294661
N-[(1-cyclohexylpyrazol-3-yl)methyl]hexan-1-amine
CID 64799565
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-prop-2-ynylsulfanylethanamine
CID 114187719

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(1-cyclopentylpyrazol-3-yl)methanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(1-cyclopentylpyrazol-3-yl)methanamine (CID 64801008) is N-[(2-chlorophenyl)methyl]-1-(1-cyclopentylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(1-cyclopentylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(1-cyclopentylpyrazol-3-yl)methanamine is Clc1ccccc1CNCc1ccn(C2CCCC2)n1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(1-cyclopentylpyrazol-3-yl)methanamine?
The InChIKey is CYTWUUDRCKOVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c17-16-8-4-1-5-13(16)11-18-12-14-9-10-20(19-14)15-6-2-3-7-15/h1,4-5,8-10,15,18H,2-3,6-7,11-12H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(1-cyclopentylpyrazol-3-yl)methanamine?
N-[(2-chlorophenyl)methyl]-1-(1-cyclopentylpyrazol-3-yl)methanamine has a molecular weight of 289.81 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(1-cyclopentylpyrazol-3-yl)methanamine is sourced from PubChem (CID 64801008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).