cyclohexyl-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]methanone

C22H29N3O2 — CID 122703723

IUPACcyclohexyl-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC(C(=O)N2N=CCC2c2ccccc2)CC1
InChIInChI=1S/C22H29N3O2/c26-21(18-9-5-2-6-10-18)24-15-12-19(13-16-24)22(27)25-20(11-14-23-25)17-7-3-1-4-8-17/h1,3-4,7-8,14,18-20H,2,5-6,9-13,15-16H2
InChIKeyAUHTXVYDYYFURI-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.76
Rot. Bonds3

About cyclohexyl-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]methanone

cyclohexyl-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]methanone (PubChem CID 122703723) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is cyclohexyl-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]methanone
PubChem CID122703723
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Namecyclohexyl-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC(C(=O)N2N=CCC2c2ccccc2)CC1
InChIInChI=1S/C22H29N3O2/c26-21(18-9-5-2-6-10-18)24-15-12-19(13-16-24)22(27)25-20(11-14-23-25)17-7-3-1-4-8-17/h1,3-4,7-8,14,18-20H,2,5-6,9-13,15-16H2
InChIKeyAUHTXVYDYYFURI-UHFFFAOYSA-N
XLogP3.76
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-2,2-Dimethyl-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)propan-1-one
CID 122703613
Phenyl(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone
CID 3063662
Cyclohexyl(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone
CID 3078480
2-(4-Ethylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 4886386
1-[2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl]-4-piperidinecarboxamide
CID 2951003
4-Phenyl-2-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-2H-pyridazin-3-one
CID 44269802
Oxan-4-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 122703561
1-[4-(3-Phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone
CID 122703578
[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-phenylpiperidin-4-yl)methanone
CID 122703579
(3-Phenyl-3,4-dihydropyrazol-2-yl)-(1-phenylpiperidin-4-yl)methanone
CID 122703581
Cyclopentyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 122703585
(1-Benzoylpiperidin-4-yl)-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 122703586

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]methanone (CID 122703723) is cyclohexyl-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]methanone is O=C(C1CCCCC1)N1CCC(C(=O)N2N=CCC2c2ccccc2)CC1.
What is the InChIKey of cyclohexyl-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]methanone?
The InChIKey is AUHTXVYDYYFURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c26-21(18-9-5-2-6-10-18)24-15-12-19(13-16-24)22(27)25-20(11-14-23-25)17-7-3-1-4-8-17/h1,3-4,7-8,14,18-20H,2,5-6,9-13,15-16H2.
What are the key properties of cyclohexyl-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]methanone?
cyclohexyl-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]methanone has a molecular weight of 367.49 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]methanone is sourced from PubChem (CID 122703723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).