1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpiperidine

C25H30N4 — CID 45251638

IUPAC1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpiperidine
SMILESc1ccc(-c2nn(-c3ccccc3)cc2CN2CCCC(N3CCCC3)C2)cc1
InChIInChI=1S/C25H30N4/c1-3-10-21(11-4-1)25-22(19-29(26-25)23-12-5-2-6-13-23)18-27-15-9-14-24(20-27)28-16-7-8-17-28/h1-6,10-13,19,24H,7-9,14-18,20H2
InChIKeyFDFJAEIZKKSXJX-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.60
Rot. Bonds5

About 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpiperidine

1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpiperidine (PubChem CID 45251638) has the molecular formula C25H30N4 and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpiperidine
PubChem CID45251638
Molecular FormulaC25H30N4
Molecular Weight386.54 g/mol
Exact Mass386.25
IUPAC Name1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpiperidine
SMILESc1ccc(-c2nn(-c3ccccc3)cc2CN2CCCC(N3CCCC3)C2)cc1
InChIInChI=1S/C25H30N4/c1-3-10-21(11-4-1)25-22(19-29(26-25)23-12-5-2-6-13-23)18-27-15-9-14-24(20-27)28-16-7-8-17-28/h1-6,10-13,19,24H,7-9,14-18,20H2
InChIKeyFDFJAEIZKKSXJX-UHFFFAOYSA-N
XLogP4.60
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-phenyl-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrazole
CID 74235992
1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrazolidin-3-ylpiperidine
CID 75099598
(3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 94163079
(3S)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 94163078
ethyl 4-[1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 45250547
1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-3-carboxamide
CID 112796807
(9aS)-2-[(2-chlorophenyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 124738363
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)phenol
CID 82980243
(3R)-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 26406111
1-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)piperazine
CID 16576279
1-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967906
(9aS)-2-(naphthalen-1-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 95053254

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpiperidine?
The IUPAC name of 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpiperidine (CID 45251638) is 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpiperidine?
The canonical SMILES for 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpiperidine is c1ccc(-c2nn(-c3ccccc3)cc2CN2CCCC(N3CCCC3)C2)cc1.
What is the InChIKey of 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpiperidine?
The InChIKey is FDFJAEIZKKSXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4/c1-3-10-21(11-4-1)25-22(19-29(26-25)23-12-5-2-6-13-23)18-27-15-9-14-24(20-27)28-16-7-8-17-28/h1-6,10-13,19,24H,7-9,14-18,20H2.
What are the key properties of 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpiperidine?
1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpiperidine has a molecular weight of 386.54 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 45251638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).