N-[(4-chloro-1-methylpyrazol-5-yl)-cyclohexylmethyl]ethanamine

C13H22ClN3 — CID 114647881

IUPACN-[(4-chloro-1-methylpyrazol-5-yl)-cyclohexylmethyl]ethanamine
SMILESCCNC(c1c(Cl)cnn1C)C1CCCCC1
InChIInChI=1S/C13H22ClN3/c1-3-15-12(10-7-5-4-6-8-10)13-11(14)9-16-17(13)2/h9-10,12,15H,3-8H2,1-2H3
InChIKeyGSFRYAQLSYWSDI-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.30
Rot. Bonds4

About N-[(4-chloro-1-methylpyrazol-5-yl)-cyclohexylmethyl]ethanamine

N-[(4-chloro-1-methylpyrazol-5-yl)-cyclohexylmethyl]ethanamine (PubChem CID 114647881) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazol-5-yl)-cyclohexylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrazol-5-yl)-cyclohexylmethyl]ethanamine
PubChem CID114647881
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC NameN-[(4-chloro-1-methylpyrazol-5-yl)-cyclohexylmethyl]ethanamine
SMILESCCNC(c1c(Cl)cnn1C)C1CCCCC1
InChIInChI=1S/C13H22ClN3/c1-3-15-12(10-7-5-4-6-8-10)13-11(14)9-16-17(13)2/h9-10,12,15H,3-8H2,1-2H3
InChIKeyGSFRYAQLSYWSDI-UHFFFAOYSA-N
XLogP3.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclooctyl-N-methylmethanamine
CID 114658830
1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclohexyl-N-methylmethanamine
CID 114647869
N-[(4-chloro-1-methylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine
CID 114655781
N-[(4-chloro-1-methylpyrazol-5-yl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine
CID 103346233
N-[(4-chloro-1-methylpyrazol-5-yl)-(thiolan-3-yl)methyl]propan-1-amine
CID 105186032
1-(4-chloro-1-methylpyrazol-5-yl)-2-cycloheptylethanol
CID 115836779
N-[(4-chloro-1-ethylpyrazol-5-yl)-cyclobutylmethyl]propan-1-amine
CID 114653224
N-[(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 114660019
3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylbutan-2-amine
CID 114662988
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylhexan-1-amine
CID 105046403
N-[cyclooctyl-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 80603885
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 105046718

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)-cyclohexylmethyl]ethanamine?
The IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)-cyclohexylmethyl]ethanamine (CID 114647881) is N-[(4-chloro-1-methylpyrazol-5-yl)-cyclohexylmethyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-1-methylpyrazol-5-yl)-cyclohexylmethyl]ethanamine?
The canonical SMILES for N-[(4-chloro-1-methylpyrazol-5-yl)-cyclohexylmethyl]ethanamine is CCNC(c1c(Cl)cnn1C)C1CCCCC1.
What is the InChIKey of N-[(4-chloro-1-methylpyrazol-5-yl)-cyclohexylmethyl]ethanamine?
The InChIKey is GSFRYAQLSYWSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-3-15-12(10-7-5-4-6-8-10)13-11(14)9-16-17(13)2/h9-10,12,15H,3-8H2,1-2H3.
What are the key properties of N-[(4-chloro-1-methylpyrazol-5-yl)-cyclohexylmethyl]ethanamine?
N-[(4-chloro-1-methylpyrazol-5-yl)-cyclohexylmethyl]ethanamine has a molecular weight of 255.79 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylpyrazol-5-yl)-cyclohexylmethyl]ethanamine is sourced from PubChem (CID 114647881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).