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

C24H29N5 — CID 75099598

IUPAC1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrazolidin-3-ylpiperidine
SMILESc1ccc(-c2nn(-c3ccccc3)cc2CN2CCCC(C3CCNN3)C2)cc1
InChIInChI=1S/C24H29N5/c1-3-8-19(9-4-1)24-21(18-29(27-24)22-11-5-2-6-12-22)17-28-15-7-10-20(16-28)23-13-14-25-26-23/h1-6,8-9,11-12,18,20,23,25-26H,7,10,13-17H2
InChIKeyUZUANGRGPIBFLY-UHFFFAOYSA-N
MW387.53 g/mol
LogP3.62
Rot. Bonds5

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

1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrazolidin-3-ylpiperidine (PubChem CID 75099598) has the molecular formula C24H29N5 and a molecular weight of 387.53 g/mol. Its IUPAC name is 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrazolidin-3-ylpiperidine.

Molecular Properties

Compound Name1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrazolidin-3-ylpiperidine
PubChem CID75099598
Molecular FormulaC24H29N5
Molecular Weight387.53 g/mol
Exact Mass387.24
IUPAC Name1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrazolidin-3-ylpiperidine
SMILESc1ccc(-c2nn(-c3ccccc3)cc2CN2CCCC(C3CCNN3)C2)cc1
InChIInChI=1S/C24H29N5/c1-3-8-19(9-4-1)24-21(18-29(27-24)22-11-5-2-6-12-22)17-28-15-7-10-20(16-28)23-13-14-25-26-23/h1-6,8-9,11-12,18,20,23,25-26H,7,10,13-17H2
InChIKeyUZUANGRGPIBFLY-UHFFFAOYSA-N
XLogP3.62
TPSA45.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpiperidine
CID 45251638
(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
(3R)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpiperidin-3-amine
CID 96998820
(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-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-3-carboxamide
CID 112796807
1-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine
CID 120909299
(3S)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol
CID 95876935
1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol
CID 25486900
1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 112840561
(6S,11S)-2-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol
CID 164695792

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrazolidin-3-ylpiperidine?
The IUPAC name of 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrazolidin-3-ylpiperidine (CID 75099598) is 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrazolidin-3-ylpiperidine.
What is the SMILES notation for 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrazolidin-3-ylpiperidine?
The canonical SMILES for 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrazolidin-3-ylpiperidine is c1ccc(-c2nn(-c3ccccc3)cc2CN2CCCC(C3CCNN3)C2)cc1.
What is the InChIKey of 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrazolidin-3-ylpiperidine?
The InChIKey is UZUANGRGPIBFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5/c1-3-8-19(9-4-1)24-21(18-29(27-24)22-11-5-2-6-12-22)17-28-15-7-10-20(16-28)23-13-14-25-26-23/h1-6,8-9,11-12,18,20,23,25-26H,7,10,13-17H2.
What are the key properties of 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrazolidin-3-ylpiperidine?
1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrazolidin-3-ylpiperidine has a molecular weight of 387.53 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrazolidin-3-ylpiperidine is sourced from PubChem (CID 75099598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).