1-[1-[5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]imidazol-1-yl]propan-2-yl]piperidine

C21H27N5O — CID 46980253

IUPAC1-[1-[5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]imidazol-1-yl]propan-2-yl]piperidine
SMILESCOc1ccc(-c2[nH]ncc2-c2cncn2CC(C)N2CCCCC2)cc1
InChIInChI=1S/C21H27N5O/c1-16(25-10-4-3-5-11-25)14-26-15-22-13-20(26)19-12-23-24-21(19)17-6-8-18(27-2)9-7-17/h6-9,12-13,15-16H,3-5,10-11,14H2,1-2H3,(H,23,24)
InChIKeyGYLHDVSDKXMJGL-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.82
Rot. Bonds6

About 1-[1-[5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]imidazol-1-yl]propan-2-yl]piperidine

1-[1-[5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]imidazol-1-yl]propan-2-yl]piperidine (PubChem CID 46980253) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-[1-[5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]imidazol-1-yl]propan-2-yl]piperidine.

Molecular Properties

Compound Name1-[1-[5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]imidazol-1-yl]propan-2-yl]piperidine
PubChem CID46980253
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name1-[1-[5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]imidazol-1-yl]propan-2-yl]piperidine
SMILESCOc1ccc(-c2[nH]ncc2-c2cncn2CC(C)N2CCCCC2)cc1
InChIInChI=1S/C21H27N5O/c1-16(25-10-4-3-5-11-25)14-26-15-22-13-20(26)19-12-23-24-21(19)17-6-8-18(27-2)9-7-17/h6-9,12-13,15-16H,3-5,10-11,14H2,1-2H3,(H,23,24)
InChIKeyGYLHDVSDKXMJGL-UHFFFAOYSA-N
XLogP3.82
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]imidazol-1-yl]propyl]piperidine;hydrochloride
CID 171672370
3-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridin-4-amine
CID 114721375
3-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine
CID 114719316
6-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-3-(2-methylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 135634225
4-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-pyrazol-5-yl]pyridine
CID 126428744
1,3,5-trimethyl-6-[3-[(2S)-2-piperidin-1-ylpropyl]imidazol-4-yl]benzimidazol-2-one
CID 92628933
4-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]piperidine
CID 114706795
2,3-difluoro-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol
CID 166473874
1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine;hydrochloride
CID 171667670
2-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]ethanamine
CID 114721367
N-methyl-2-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]propan-2-amine
CID 114708201
(8aR,11aS)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 110201594

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]imidazol-1-yl]propan-2-yl]piperidine?
The IUPAC name of 1-[1-[5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]imidazol-1-yl]propan-2-yl]piperidine (CID 46980253) is 1-[1-[5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]imidazol-1-yl]propan-2-yl]piperidine.
What is the SMILES notation for 1-[1-[5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]imidazol-1-yl]propan-2-yl]piperidine?
The canonical SMILES for 1-[1-[5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]imidazol-1-yl]propan-2-yl]piperidine is COc1ccc(-c2[nH]ncc2-c2cncn2CC(C)N2CCCCC2)cc1.
What is the InChIKey of 1-[1-[5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]imidazol-1-yl]propan-2-yl]piperidine?
The InChIKey is GYLHDVSDKXMJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-16(25-10-4-3-5-11-25)14-26-15-22-13-20(26)19-12-23-24-21(19)17-6-8-18(27-2)9-7-17/h6-9,12-13,15-16H,3-5,10-11,14H2,1-2H3,(H,23,24).
What are the key properties of 1-[1-[5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]imidazol-1-yl]propan-2-yl]piperidine?
1-[1-[5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]imidazol-1-yl]propan-2-yl]piperidine has a molecular weight of 365.48 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]imidazol-1-yl]propan-2-yl]piperidine is sourced from PubChem (CID 46980253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).