3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylaniline

C16H20ClN3 — CID 64801006

IUPAC3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylaniline
SMILESCc1c(Cl)cccc1NCc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H20ClN3/c1-12-15(17)7-4-8-16(12)18-11-13-9-10-20(19-13)14-5-2-3-6-14/h4,7-10,14,18H,2-3,5-6,11H2,1H3
InChIKeyCYGPGZAXKSWAAU-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.57
Rot. Bonds4

About 3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylaniline

3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylaniline (PubChem CID 64801006) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylaniline.

Molecular Properties

Compound Name3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylaniline
PubChem CID64801006
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylaniline
SMILESCc1c(Cl)cccc1NCc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H20ClN3/c1-12-15(17)7-4-8-16(12)18-11-13-9-10-20(19-13)14-5-2-3-6-14/h4,7-10,14,18H,2-3,5-6,11H2,1H3
InChIKeyCYGPGZAXKSWAAU-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline
CID 19626027
N-[(2-chlorophenyl)methyl]-1-(1-cyclopentylpyrazol-3-yl)methanamine
CID 64801008
5-bromo-N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-fluoro-2-methylaniline
CID 107592054
N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylquinoxalin-2-amine
CID 133386163
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 167855564
N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-iodoaniline
CID 64800257
N-[(1-cyclopentylpyrazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 133386213
2,4-dibromo-N-[(1-cyclohexylpyrazol-3-yl)methyl]aniline
CID 64801058
N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-ethoxyaniline
CID 64799720
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)methanamine
CID 64801405
2,4,6-tribromo-N-[(1-cyclopentylpyrazol-3-yl)methyl]aniline
CID 64800838
3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclobutan-1-amine
CID 114631935

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylaniline?
The IUPAC name of 3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylaniline (CID 64801006) is 3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylaniline.
What is the SMILES notation for 3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylaniline?
The canonical SMILES for 3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylaniline is Cc1c(Cl)cccc1NCc1ccn(C2CCCC2)n1.
What is the InChIKey of 3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylaniline?
The InChIKey is CYGPGZAXKSWAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-12-15(17)7-4-8-16(12)18-11-13-9-10-20(19-13)14-5-2-3-6-14/h4,7-10,14,18H,2-3,5-6,11H2,1H3.
What are the key properties of 3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylaniline?
3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylaniline has a molecular weight of 289.81 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylaniline is sourced from PubChem (CID 64801006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).