4,4-diphenyl-1-(1H-pyrazol-5-ylmethyl)piperidine

C21H23N3 — CID 141031204

IUPAC4,4-diphenyl-1-(1H-pyrazol-5-ylmethyl)piperidine
SMILESc1ccc(C2(c3ccccc3)CCN(Cc3ccn[nH]3)CC2)cc1
InChIInChI=1S/C21H23N3/c1-3-7-18(8-4-1)21(19-9-5-2-6-10-19)12-15-24(16-13-21)17-20-11-14-22-23-20/h1-11,14H,12-13,15-17H2,(H,22,23)
InChIKeyHNAAEBVBTMQNPX-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.99
Rot. Bonds4

About 4,4-diphenyl-1-(1H-pyrazol-5-ylmethyl)piperidine

4,4-diphenyl-1-(1H-pyrazol-5-ylmethyl)piperidine (PubChem CID 141031204) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 4,4-diphenyl-1-(1H-pyrazol-5-ylmethyl)piperidine.

Molecular Properties

Compound Name4,4-diphenyl-1-(1H-pyrazol-5-ylmethyl)piperidine
PubChem CID141031204
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name4,4-diphenyl-1-(1H-pyrazol-5-ylmethyl)piperidine
SMILESc1ccc(C2(c3ccccc3)CCN(Cc3ccn[nH]3)CC2)cc1
InChIInChI=1S/C21H23N3/c1-3-7-18(8-4-1)21(19-9-5-2-6-10-19)12-15-24(16-13-21)17-20-11-14-22-23-20/h1-11,14H,12-13,15-17H2,(H,22,23)
InChIKeyHNAAEBVBTMQNPX-UHFFFAOYSA-N
XLogP3.99
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-phenylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-4-ol
CID 122140252
1-benzhydryl-4-(1H-pyrazol-5-ylmethyl)piperazine
CID 166187046
5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1H-pyrazole
CID 131101674
1-benzyl-4-phenyl-4-(1H-1,2,4-triazol-5-yl)piperidine;methane
CID 162015011
2-[4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole
CID 110114192
2-(1H-pyrazol-5-ylmethyl)-2,7-diazaspiro[4.4]nonane
CID 120908157
1-benzyl-7-(1H-pyrazol-5-ylmethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
CID 134810617
4-(1H-pyrazol-5-ylmethyl)-1,4-thiazepane
CID 130978157
5-fluoro-1-(1H-pyrazol-5-ylmethyl)-3,6-dihydro-2H-pyridine
CID 126782198
1-(4-methylphenyl)-4-(1H-pyrazol-5-ylmethyl)piperazine
CID 171622315
ethane;4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidine;molecular hydrogen
CID 144702602
1-(1H-pyrazol-5-ylmethyl)azetidin-3-ol
CID 82416866

Frequently Asked Questions

What is the IUPAC name of 4,4-diphenyl-1-(1H-pyrazol-5-ylmethyl)piperidine?
The IUPAC name of 4,4-diphenyl-1-(1H-pyrazol-5-ylmethyl)piperidine (CID 141031204) is 4,4-diphenyl-1-(1H-pyrazol-5-ylmethyl)piperidine.
What is the SMILES notation for 4,4-diphenyl-1-(1H-pyrazol-5-ylmethyl)piperidine?
The canonical SMILES for 4,4-diphenyl-1-(1H-pyrazol-5-ylmethyl)piperidine is c1ccc(C2(c3ccccc3)CCN(Cc3ccn[nH]3)CC2)cc1.
What is the InChIKey of 4,4-diphenyl-1-(1H-pyrazol-5-ylmethyl)piperidine?
The InChIKey is HNAAEBVBTMQNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-3-7-18(8-4-1)21(19-9-5-2-6-10-19)12-15-24(16-13-21)17-20-11-14-22-23-20/h1-11,14H,12-13,15-17H2,(H,22,23).
What are the key properties of 4,4-diphenyl-1-(1H-pyrazol-5-ylmethyl)piperidine?
4,4-diphenyl-1-(1H-pyrazol-5-ylmethyl)piperidine has a molecular weight of 317.44 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diphenyl-1-(1H-pyrazol-5-ylmethyl)piperidine is sourced from PubChem (CID 141031204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).