4-propyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexan-1-amine

C18H26N4 — CID 78871623

IUPAC4-propyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexan-1-amine
SMILESCCCC1CCC(NCc2ccnc(-n3cccn3)c2)CC1
InChIInChI=1S/C18H26N4/c1-2-4-15-5-7-17(8-6-15)20-14-16-9-11-19-18(13-16)22-12-3-10-21-22/h3,9-13,15,17,20H,2,4-8,14H2,1H3
InChIKeyZZZJFOQTWLBYHM-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.72
Rot. Bonds6

About 4-propyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexan-1-amine

4-propyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexan-1-amine (PubChem CID 78871623) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-propyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-propyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexan-1-amine
PubChem CID78871623
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name4-propyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexan-1-amine
SMILESCCCC1CCC(NCc2ccnc(-n3cccn3)c2)CC1
InChIInChI=1S/C18H26N4/c1-2-4-15-5-7-17(8-6-15)20-14-16-9-11-19-18(13-16)22-12-3-10-21-22/h3,9-13,15,17,20H,2,4-8,14H2,1H3
InChIKeyZZZJFOQTWLBYHM-UHFFFAOYSA-N
XLogP3.72
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-propyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexan-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

N-[4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]cyclohexyl]acetamide
CID 86801992
N-[[2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 62279976
1-cyclopentyl-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 110989663
3-[[(4-propylcyclohexyl)amino]methyl]phenol
CID 54962735
1-(3-cyclohexylpropyl)-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 111947399
N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 75382672
1-(3-cyclohexylpropyl)-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111947398
N-[(3-pyrazol-1-ylphenyl)methyl]cyclohexanamine
CID 62488878
4,6-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine
CID 32805633
N-[[2-(4-propylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 62285719
N-[(3-bromo-4-methylphenyl)methyl]-4-propylcyclohexan-1-amine
CID 105401447
N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 103539475

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-propyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexan-1-amine (CID 78871623) is 4-propyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-propyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-propyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexan-1-amine is CCCC1CCC(NCc2ccnc(-n3cccn3)c2)CC1.
What is the InChIKey of 4-propyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexan-1-amine?
The InChIKey is ZZZJFOQTWLBYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-2-4-15-5-7-17(8-6-15)20-14-16-9-11-19-18(13-16)22-12-3-10-21-22/h3,9-13,15,17,20H,2,4-8,14H2,1H3.
What are the key properties of 4-propyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexan-1-amine?
4-propyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexan-1-amine has a molecular weight of 298.43 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 78871623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).