1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclohexyl-N-methylmethanamine

C14H24ClN3 — CID 114647869

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclohexyl-N-methylmethanamine
SMILESCCCn1ncc(Cl)c1C(NC)C1CCCCC1
InChIInChI=1S/C14H24ClN3/c1-3-9-18-14(12(15)10-17-18)13(16-2)11-7-5-4-6-8-11/h10-11,13,16H,3-9H2,1-2H3
InChIKeyBKLIGWXCGXUTOI-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.79
Rot. Bonds5

About 1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclohexyl-N-methylmethanamine

1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclohexyl-N-methylmethanamine (PubChem CID 114647869) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclohexyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclohexyl-N-methylmethanamine
PubChem CID114647869
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclohexyl-N-methylmethanamine
SMILESCCCn1ncc(Cl)c1C(NC)C1CCCCC1
InChIInChI=1S/C14H24ClN3/c1-3-9-18-14(12(15)10-17-18)13(16-2)11-7-5-4-6-8-11/h10-11,13,16H,3-9H2,1-2H3
InChIKeyBKLIGWXCGXUTOI-UHFFFAOYSA-N
XLogP3.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.79
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-(7-bicyclo[4.1.0]heptanyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105042506
1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol
CID 103459015
N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 114649242
1-(4-chloro-1-propylpyrazol-5-yl)-3-cyclopentyl-N-methylpropan-1-amine
CID 105042610
N-[(4-chloro-1-propylpyrazol-5-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 114654894
N-[6-bicyclo[3.1.0]hexanyl-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105042723
N-[(4-chloro-1-ethylpyrazol-5-yl)-cyclobutylmethyl]propan-1-amine
CID 114653224
[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-cyclopentylmethyl]hydrazine
CID 105204303
[(4-chloro-1-propylpyrazol-5-yl)-(thian-2-yl)methyl]hydrazine
CID 105255730
1-cyclopropyl-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114647967
N-[(4-chloro-1-methylpyrazol-5-yl)-cyclohexylmethyl]ethanamine
CID 114647881

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclohexyl-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclohexyl-N-methylmethanamine (CID 114647869) is 1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclohexyl-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclohexyl-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclohexyl-N-methylmethanamine is CCCn1ncc(Cl)c1C(NC)C1CCCCC1.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclohexyl-N-methylmethanamine?
The InChIKey is BKLIGWXCGXUTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3/c1-3-9-18-14(12(15)10-17-18)13(16-2)11-7-5-4-6-8-11/h10-11,13,16H,3-9H2,1-2H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclohexyl-N-methylmethanamine?
1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclohexyl-N-methylmethanamine has a molecular weight of 269.82 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclohexyl-N-methylmethanamine is sourced from PubChem (CID 114647869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).