1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine;hydrochloride

C18H30ClN5 — CID 171667670

IUPAC1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine;hydrochloride
SMILESCCn1nc(C)c(-c2cncn2CC(C)N2CCCCC2)c1C.Cl
InChIInChI=1S/C18H29N5.ClH/c1-5-23-16(4)18(15(3)20-23)17-11-19-13-22(17)12-14(2)21-9-7-6-8-10-21;/h11,13-14H,5-10,12H2,1-4H3;1H
InChIKeyPVMLNWKJAGVGSZ-UHFFFAOYSA-N
MW351.93 g/mol
LogP3.68
Rot. Bonds5

About 1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine;hydrochloride

1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine;hydrochloride (PubChem CID 171667670) has the molecular formula C18H30ClN5 and a molecular weight of 351.93 g/mol. Its IUPAC name is 1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine;hydrochloride
PubChem CID171667670
Molecular FormulaC18H30ClN5
Molecular Weight351.93 g/mol
Exact Mass351.22
IUPAC Name1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine;hydrochloride
SMILESCCn1nc(C)c(-c2cncn2CC(C)N2CCCCC2)c1C.Cl
InChIInChI=1S/C18H29N5.ClH/c1-5-23-16(4)18(15(3)20-23)17-11-19-13-22(17)12-14(2)21-9-7-6-8-10-21;/h11,13-14H,5-10,12H2,1-4H3;1H
InChIKeyPVMLNWKJAGVGSZ-UHFFFAOYSA-N
XLogP3.68
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.93
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine
CID 46980226
1-[1-[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine
CID 46980209
4-[3-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole
CID 92612183
3-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridin-4-amine
CID 114721375
1,3,5-trimethyl-6-[3-[(2S)-2-piperidin-1-ylpropyl]imidazol-4-yl]benzimidazol-2-one
CID 92628933
3-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine
CID 114719316
ethyl 4-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]-1H-pyrazole-5-carboxylate
CID 46980275
2-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]ethanamine
CID 114721367
1-[2-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]methyl]phenyl]-N,N-dimethylmethanamine
CID 46980228
N-methyl-2-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]propan-2-amine
CID 114708201
4-[3-[(2R)-2-(2-chlorophenoxy)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole
CID 92612154
4-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]piperidine
CID 114706795

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine;hydrochloride?
The IUPAC name of 1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine;hydrochloride (CID 171667670) is 1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine;hydrochloride.
What is the SMILES notation for 1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine;hydrochloride?
The canonical SMILES for 1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine;hydrochloride is CCn1nc(C)c(-c2cncn2CC(C)N2CCCCC2)c1C.Cl.
What is the InChIKey of 1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine;hydrochloride?
The InChIKey is PVMLNWKJAGVGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5.ClH/c1-5-23-16(4)18(15(3)20-23)17-11-19-13-22(17)12-14(2)21-9-7-6-8-10-21;/h11,13-14H,5-10,12H2,1-4H3;1H.
What are the key properties of 1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine;hydrochloride?
1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine;hydrochloride has a molecular weight of 351.93 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine;hydrochloride is sourced from PubChem (CID 171667670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).