(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone

C19H21N5O2 — CID 122703588

IUPAC(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1ccn[nH]1)N1CCC(C(=O)N2N=CCC2c2ccccc2)CC1
InChIInChI=1S/C19H21N5O2/c25-18(24-17(7-11-21-24)14-4-2-1-3-5-14)15-8-12-23(13-9-15)19(26)16-6-10-20-22-16/h1-6,10-11,15,17H,7-9,12-13H2,(H,20,22)
InChIKeyGAEYWYAKLLSDJH-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.22
Rot. Bonds3

About (3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone

(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone (PubChem CID 122703588) 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-5-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
PubChem CID122703588
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1ccn[nH]1)N1CCC(C(=O)N2N=CCC2c2ccccc2)CC1
InChIInChI=1S/C19H21N5O2/c25-18(24-17(7-11-21-24)14-4-2-1-3-5-14)15-8-12-23(13-9-15)19(26)16-6-10-20-22-16/h1-6,10-11,15,17H,7-9,12-13H2,(H,20,22)
InChIKeyGAEYWYAKLLSDJH-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

4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 24864082
{[(2,6-difluorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide
CID 11268094
US10022354, Example 183
CID 121279732
N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide
CID 6468083
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-1H-pyrazol-3-yl)methanone
CID 20918269
2-[4-(4-Chloro-1H-pyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 24811298
1-(4-Fluorophenyl)-2-[4-(5-methyl-2H-pyrazole-3-carbonyl)-piperazin-1-yl]ethanone
CID 24811418
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione
CID 24994152
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[2-fluoro-4-(1H-pyrazol-3-yl)phenyl]ethane-1,2-dione
CID 24995073
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[3-methyl-4-(1H-pyrazol-3-yl)phenyl]ethane-1,2-dione
CID 24995074
1-[2-amino-4-(1H-pyrazol-3-yl)phenyl]-2-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]ethane-1,2-dione
CID 44191579
[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 72195779

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone (CID 122703588) is (3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone is O=C(c1ccn[nH]1)N1CCC(C(=O)N2N=CCC2c2ccccc2)CC1.
What is the InChIKey of (3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone?
The InChIKey is GAEYWYAKLLSDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-18(24-17(7-11-21-24)14-4-2-1-3-5-14)15-8-12-23(13-9-15)19(26)16-6-10-20-22-16/h1-6,10-11,15,17H,7-9,12-13H2,(H,20,22).
What are the key properties of (3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone?
(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-5-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-5-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 122703588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).