4-(2-pyrazol-1-ylethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide

C20H24N6O — CID 118792608

IUPAC4-(2-pyrazol-1-ylethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)N1CCC(CCn2cccn2)CC1
InChIInChI=1S/C20H24N6O/c27-20(23-18-3-5-19(6-4-18)26-13-2-11-22-26)24-14-7-17(8-15-24)9-16-25-12-1-10-21-25/h1-6,10-13,17H,7-9,14-16H2,(H,23,27)
InChIKeyQECBYMDAWBMAKP-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.40
Rot. Bonds5

About 4-(2-pyrazol-1-ylethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide

4-(2-pyrazol-1-ylethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide (PubChem CID 118792608) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-(2-pyrazol-1-ylethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-pyrazol-1-ylethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide
PubChem CID118792608
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name4-(2-pyrazol-1-ylethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)N1CCC(CCn2cccn2)CC1
InChIInChI=1S/C20H24N6O/c27-20(23-18-3-5-19(6-4-18)26-13-2-11-22-26)24-14-7-17(8-15-24)9-16-25-12-1-10-21-25/h1-6,10-13,17H,7-9,14-16H2,(H,23,27)
InChIKeyQECBYMDAWBMAKP-UHFFFAOYSA-N
XLogP3.40
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-methylpyrrole-2-carbonyl)-N-[4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide
CID 46911300
N-(4-carbamoyl-3-chlorophenyl)-4-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 118781188
N-(3,4-dimethylphenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 90495360
(2S)-N-(4-fluorophenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide
CID 125172810
1-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]-3-(4-pyrazol-1-ylphenyl)urea
CID 91837463
1-ethyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-(4-pyrazol-1-ylphenyl)urea
CID 124850362
N-phenyl-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
CID 121094912
4-[[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]acetyl]amino]benzamide
CID 135099789
4-(2-pyrazol-1-ylethyl)-N-(1-pyridin-3-ylpropyl)piperidine-1-carboxamide
CID 122565648
N-(4-imidazol-1-ylphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 118795948
1-N-phenyl-3-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 55711481
1-N-phenyl-4-N-(3-pyrazol-1-ylphenyl)piperidine-1,4-dicarboxamide
CID 55963089

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrazol-1-ylethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(2-pyrazol-1-ylethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide (CID 118792608) is 4-(2-pyrazol-1-ylethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-pyrazol-1-ylethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(2-pyrazol-1-ylethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide is O=C(Nc1ccc(-n2cccn2)cc1)N1CCC(CCn2cccn2)CC1.
What is the InChIKey of 4-(2-pyrazol-1-ylethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide?
The InChIKey is QECBYMDAWBMAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c27-20(23-18-3-5-19(6-4-18)26-13-2-11-22-26)24-14-7-17(8-15-24)9-16-25-12-1-10-21-25/h1-6,10-13,17H,7-9,14-16H2,(H,23,27).
What are the key properties of 4-(2-pyrazol-1-ylethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide?
4-(2-pyrazol-1-ylethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrazol-1-ylethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 118792608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).