N-[[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine

C16H20ClN3 — CID 82528297

IUPACN-[[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine
SMILESCc1c(CNC2CCCC2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C16H20ClN3/c1-12-13(10-18-15-6-2-3-7-15)11-19-20(12)16-8-4-5-14(17)9-16/h4-5,8-9,11,15,18H,2-3,6-7,10H2,1H3
InChIKeyHKIJWLNCGHPLBH-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.87
Rot. Bonds4

About N-[[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine

N-[[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine (PubChem CID 82528297) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine
PubChem CID82528297
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC NameN-[[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine
SMILESCc1c(CNC2CCCC2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C16H20ClN3/c1-12-13(10-18-15-6-2-3-7-15)11-19-20(12)16-8-4-5-14(17)9-16/h4-5,8-9,11,15,18H,2-3,6-7,10H2,1H3
InChIKeyHKIJWLNCGHPLBH-UHFFFAOYSA-N
XLogP3.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 54982355
N-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine
CID 82527894
2-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 82291485
N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 61270362
1-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]piperidin-4-amine
CID 117210766
N-[[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopentanamine
CID 82527795
4-[[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylamino]cyclohexan-1-ol
CID 78809954
1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-5-methylpyrazol-4-amine
CID 75517573
1-(3-chlorophenyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119512036
5-chloro-1-(3-chlorophenyl)-4-cyclohexyloxypyrazole
CID 117232891
N-[[1-(4-fluoro-2-methylphenyl)-5-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 63866539
1-(3-chlorophenyl)-5-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119451648

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine (CID 82528297) is N-[[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine is Cc1c(CNC2CCCC2)cnn1-c1cccc(Cl)c1.
What is the InChIKey of N-[[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine?
The InChIKey is HKIJWLNCGHPLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-12-13(10-18-15-6-2-3-7-15)11-19-20(12)16-8-4-5-14(17)9-16/h4-5,8-9,11,15,18H,2-3,6-7,10H2,1H3.
What are the key properties of N-[[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine?
N-[[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine has a molecular weight of 289.81 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine is sourced from PubChem (CID 82528297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).