1-[3-[5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]imidazol-1-yl]propyl]piperidine;hydrochloride

C21H28ClN5O — CID 171672370

IUPAC1-[3-[5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]imidazol-1-yl]propyl]piperidine;hydrochloride
SMILESCOc1ccc(-c2[nH]ncc2-c2cncn2CCCN2CCCCC2)cc1.Cl
InChIInChI=1S/C21H27N5O.ClH/c1-27-18-8-6-17(7-9-18)21-19(14-23-24-21)20-15-22-16-26(20)13-5-12-25-10-3-2-4-11-25;/h6-9,14-16H,2-5,10-13H2,1H3,(H,23,24);1H
InChIKeyKAYOVMUFVXHOAQ-UHFFFAOYSA-N
MW401.94 g/mol
LogP4.25
Rot. Bonds7

About 1-[3-[5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]imidazol-1-yl]propyl]piperidine;hydrochloride

1-[3-[5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]imidazol-1-yl]propyl]piperidine;hydrochloride (PubChem CID 171672370) has the molecular formula C21H28ClN5O and a molecular weight of 401.94 g/mol. Its IUPAC name is 1-[3-[5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]imidazol-1-yl]propyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[3-[5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]imidazol-1-yl]propyl]piperidine;hydrochloride
PubChem CID171672370
Molecular FormulaC21H28ClN5O
Molecular Weight401.94 g/mol
Exact Mass401.20
IUPAC Name1-[3-[5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]imidazol-1-yl]propyl]piperidine;hydrochloride
SMILESCOc1ccc(-c2[nH]ncc2-c2cncn2CCCN2CCCCC2)cc1.Cl
InChIInChI=1S/C21H27N5O.ClH/c1-27-18-8-6-17(7-9-18)21-19(14-23-24-21)20-15-22-16-26(20)13-5-12-25-10-3-2-4-11-25;/h6-9,14-16H,2-5,10-13H2,1H3,(H,23,24);1H
InChIKeyKAYOVMUFVXHOAQ-UHFFFAOYSA-N
XLogP4.25
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]imidazol-1-yl]propyl]piperidine;hydrochloride 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-[1-[5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]imidazol-1-yl]propan-2-yl]piperidine
CID 46980253
5-(azepan-1-yl)-N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]pentanamide
CID 24998042
N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59174000
1-[3-(4-methoxyphenyl)propyl]piperidine
CID 42640027
1-[3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propyl]piperidin-4-ol
CID 110929429
6-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-3-(2-methylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 135634225
2,3-difluoro-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol
CID 166473874
1-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethyl]piperidine
CID 3074470
1-[6-(4-methoxyphenyl)hexyl]piperidine
CID 129295861
N-[4-(azepan-1-yl)butyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 70712358
1-[3-[4-[1,3-bis(4-methoxyphenyl)pyrazol-5-yl]phenoxy]propyl]piperidine
CID 138740460
5-[3-(2-piperidin-1-ylethyl)imidazol-4-yl]pyridin-2-amine
CID 114718674

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]imidazol-1-yl]propyl]piperidine;hydrochloride?
The IUPAC name of 1-[3-[5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]imidazol-1-yl]propyl]piperidine;hydrochloride (CID 171672370) is 1-[3-[5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]imidazol-1-yl]propyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[3-[5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]imidazol-1-yl]propyl]piperidine;hydrochloride?
The canonical SMILES for 1-[3-[5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]imidazol-1-yl]propyl]piperidine;hydrochloride is COc1ccc(-c2[nH]ncc2-c2cncn2CCCN2CCCCC2)cc1.Cl.
What is the InChIKey of 1-[3-[5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]imidazol-1-yl]propyl]piperidine;hydrochloride?
The InChIKey is KAYOVMUFVXHOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O.ClH/c1-27-18-8-6-17(7-9-18)21-19(14-23-24-21)20-15-22-16-26(20)13-5-12-25-10-3-2-4-11-25;/h6-9,14-16H,2-5,10-13H2,1H3,(H,23,24);1H.
What are the key properties of 1-[3-[5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]imidazol-1-yl]propyl]piperidine;hydrochloride?
1-[3-[5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]imidazol-1-yl]propyl]piperidine;hydrochloride has a molecular weight of 401.94 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]imidazol-1-yl]propyl]piperidine;hydrochloride is sourced from PubChem (CID 171672370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).