1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine

C15H26ClN3 — CID 106830598

IUPAC1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
SMILESCNC(c1c(Cl)cnn1C(C)C)C1(C)CCCCC1
InChIInChI=1S/C15H26ClN3/c1-11(2)19-13(12(16)10-18-19)14(17-4)15(3)8-6-5-7-9-15/h10-11,14,17H,5-9H2,1-4H3
InChIKeyKXHGJFYTKAWMPM-UHFFFAOYSA-N
MW283.85 g/mol
LogP4.35
Rot. Bonds4

About 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine (PubChem CID 106830598) has the molecular formula C15H26ClN3 and a molecular weight of 283.85 g/mol. Its IUPAC name is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
PubChem CID106830598
Molecular FormulaC15H26ClN3
Molecular Weight283.85 g/mol
Exact Mass283.18
IUPAC Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
SMILESCNC(c1c(Cl)cnn1C(C)C)C1(C)CCCCC1
InChIInChI=1S/C15H26ClN3/c1-11(2)19-13(12(16)10-18-19)14(17-4)15(3)8-6-5-7-9-15/h10-11,14,17H,5-9H2,1-4H3
InChIKeyKXHGJFYTKAWMPM-UHFFFAOYSA-N
XLogP4.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.85
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methyl]hydrazine
CID 105336781
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105046816
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105048369
1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105040912
1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 105243362
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-methyloxolan-2-yl)methyl]hydrazine
CID 105250965
2-[4-chloro-5-[methylamino-(1-methylcyclopentyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105039148
1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydroxymethyl]cycloheptan-1-ol
CID 103452008
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 114661940
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclopentyl)methyl]hydrazine
CID 105275862
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830652
1-[(4-chloro-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 114657058

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine?
The IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine (CID 106830598) is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine.
What is the SMILES notation for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine?
The canonical SMILES for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine is CNC(c1c(Cl)cnn1C(C)C)C1(C)CCCCC1.
What is the InChIKey of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine?
The InChIKey is KXHGJFYTKAWMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3/c1-11(2)19-13(12(16)10-18-19)14(17-4)15(3)8-6-5-7-9-15/h10-11,14,17H,5-9H2,1-4H3.
What are the key properties of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine?
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine has a molecular weight of 283.85 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine is sourced from PubChem (CID 106830598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).