(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]methanone

C19H21N5O2 — CID 122703692

IUPAC(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1cn[nH]c1)N1CCC(C(=O)N2N=CCC2c2ccccc2)CC1
InChIInChI=1S/C19H21N5O2/c25-18(16-12-20-21-13-16)23-10-7-15(8-11-23)19(26)24-17(6-9-22-24)14-4-2-1-3-5-14/h1-5,9,12-13,15,17H,6-8,10-11H2,(H,20,21)
InChIKeyOOWYDYSLPFQTBZ-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.22
Rot. Bonds3

About (3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]methanone

(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]methanone (PubChem CID 122703692) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is (3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]methanone
PubChem CID122703692
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1cn[nH]c1)N1CCC(C(=O)N2N=CCC2c2ccccc2)CC1
InChIInChI=1S/C19H21N5O2/c25-18(16-12-20-21-13-16)23-10-7-15(8-11-23)19(26)24-17(6-9-22-24)14-4-2-1-3-5-14/h1-5,9,12-13,15,17H,6-8,10-11H2,(H,20,21)
InChIKeyOOWYDYSLPFQTBZ-UHFFFAOYSA-N
XLogP2.22
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
CID 122703588
(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]methanone
CID 122703637
1-[2-(3-fluorophenyl)ethyl]-6-keto-N-[2-(1H-pyrazol-4-yl)ethyl]nipecotamide
CID 24794338
2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
CID 16190051
N-cyclohexyl-1-[[3-(1H-pyrazole-4-carbonylamino)phenyl]methyl]piperidine-4-carboxamide
CID 129626027
US9994546, Example 112
CID 118297952
N-isopropyl-1'-[(3-phenyl-1H-pyrazol-4-yl)methyl]-1,4'-bipiperidine-4-carboxamide
CID 16189690
[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone
CID 45176805
(E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-(1H-pyrazol-4-yl)prop-2-enamide
CID 52915265
[2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56821919
N-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 166206959
N-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 172447480

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]methanone (CID 122703692) is (3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]methanone is O=C(c1cn[nH]c1)N1CCC(C(=O)N2N=CCC2c2ccccc2)CC1.
What is the InChIKey of (3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]methanone?
The InChIKey is OOWYDYSLPFQTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-18(16-12-20-21-13-16)23-10-7-15(8-11-23)19(26)24-17(6-9-22-24)14-4-2-1-3-5-14/h1-5,9,12-13,15,17H,6-8,10-11H2,(H,20,21).
What are the key properties of (3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]methanone?
(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]methanone has a molecular weight of 351.41 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 122703692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).