4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]pyridine;4-methyl-N-propan-2-ylcyclohexan-1-amine

C24H31ClN4 — CID 158061129

IUPAC4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]pyridine;4-methyl-N-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(NC(C)C)CC1.Clc1ccc(-c2[nH]ncc2-c2ccncc2)cc1
InChIInChI=1S/C14H10ClN3.C10H21N/c15-12-3-1-11(2-4-12)14-13(9-17-18-14)10-5-7-16-8-6-10;1-8(2)11-10-6-4-9(3)5-7-10/h1-9H,(H,17,18);8-11H,4-7H2,1-3H3
InChIKeyFKQRDCFDHQTMAL-UHFFFAOYSA-N
MW410.99 g/mol
LogP6.36
Rot. Bonds4

About 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]pyridine;4-methyl-N-propan-2-ylcyclohexan-1-amine

4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]pyridine;4-methyl-N-propan-2-ylcyclohexan-1-amine (PubChem CID 158061129) has the molecular formula C24H31ClN4 and a molecular weight of 410.99 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]pyridine;4-methyl-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]pyridine;4-methyl-N-propan-2-ylcyclohexan-1-amine
PubChem CID158061129
Molecular FormulaC24H31ClN4
Molecular Weight410.99 g/mol
Exact Mass410.22
IUPAC Name4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]pyridine;4-methyl-N-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(NC(C)C)CC1.Clc1ccc(-c2[nH]ncc2-c2ccncc2)cc1
InChIInChI=1S/C14H10ClN3.C10H21N/c15-12-3-1-11(2-4-12)14-13(9-17-18-14)10-5-7-16-8-6-10;1-8(2)11-10-6-4-9(3)5-7-10/h1-9H,(H,17,18);8-11H,4-7H2,1-3H3
InChIKeyFKQRDCFDHQTMAL-UHFFFAOYSA-N
XLogP6.36
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.99
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]pyridine;4-methyl-N-propan-2-ylcyclohexan-1-amine 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

1-(5-(4-chlorophenyl)-4-(4-pyridinyl)-1H-pyrazol-3-yl)-4-methylpiperazine
CID 15541506
1-[5-(4-chlorophenyl)-4-(4-pyridinyl)-1H-pyrazol-3-yl]-3,5-dimethylpiperazine
CID 9842184
2-(4-Isopropylphenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 11717091
1-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-yl]-3-methylpiperazine
CID 22037576
4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine
CID 24821653
4-[2-(4-Chloro-phenyl)-5-(1-methyl-piperidin-4-yl)-1H-pyrrol-3-yl]-pyridine
CID 44399649
4-[3-(4-chlorophenyl)-5-(3,5-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine
CID 23648269
4-[3-(4-chlorophenyl)-5-(4-methylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine
CID 23648270
2-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-yl]-decahydroisoquinoline
CID 23648271
1-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-yl]-decahydroquinoline
CID 23648272
Arylpyrazole, 14
CID 44143414
Arylpyrazole, 15
CID 44143415

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]pyridine;4-methyl-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]pyridine;4-methyl-N-propan-2-ylcyclohexan-1-amine (CID 158061129) is 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]pyridine;4-methyl-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]pyridine;4-methyl-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]pyridine;4-methyl-N-propan-2-ylcyclohexan-1-amine is CC1CCC(NC(C)C)CC1.Clc1ccc(-c2[nH]ncc2-c2ccncc2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]pyridine;4-methyl-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is FKQRDCFDHQTMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3.C10H21N/c15-12-3-1-11(2-4-12)14-13(9-17-18-14)10-5-7-16-8-6-10;1-8(2)11-10-6-4-9(3)5-7-10/h1-9H,(H,17,18);8-11H,4-7H2,1-3H3.
What are the key properties of 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]pyridine;4-methyl-N-propan-2-ylcyclohexan-1-amine?
4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]pyridine;4-methyl-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 410.99 g/mol, XLogP of 6.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]pyridine;4-methyl-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 158061129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).