1-[4-(1H-imidazol-5-yl)-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone

C20H23N5O2 — CID 122703732

IUPAC1-[4-(1H-imidazol-5-yl)-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2N=CCC2c2ccccc2)(c2cnc[nH]2)CC1
InChIInChI=1S/C20H23N5O2/c1-15(26)24-11-8-20(9-12-24,18-13-21-14-22-18)19(27)25-17(7-10-23-25)16-5-3-2-4-6-16/h2-6,10,13-14,17H,7-9,11-12H2,1H3,(H,21,22)
InChIKeyCUWMJNBFQIWFIX-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.25
Rot. Bonds3

About 1-[4-(1H-imidazol-5-yl)-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone

1-[4-(1H-imidazol-5-yl)-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone (PubChem CID 122703732) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-[4-(1H-imidazol-5-yl)-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1H-imidazol-5-yl)-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone
PubChem CID122703732
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name1-[4-(1H-imidazol-5-yl)-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2N=CCC2c2ccccc2)(c2cnc[nH]2)CC1
InChIInChI=1S/C20H23N5O2/c1-15(26)24-11-8-20(9-12-24,18-13-21-14-22-18)19(27)25-17(7-10-23-25)16-5-3-2-4-6-16/h2-6,10,13-14,17H,7-9,11-12H2,1H3,(H,21,22)
InChIKeyCUWMJNBFQIWFIX-UHFFFAOYSA-N
XLogP2.25
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-imidazol-5-yl)-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(1H-imidazol-5-yl)-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone (CID 122703732) is 1-[4-(1H-imidazol-5-yl)-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1H-imidazol-5-yl)-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1H-imidazol-5-yl)-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2N=CCC2c2ccccc2)(c2cnc[nH]2)CC1.
What is the InChIKey of 1-[4-(1H-imidazol-5-yl)-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is CUWMJNBFQIWFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-15(26)24-11-8-20(9-12-24,18-13-21-14-22-18)19(27)25-17(7-10-23-25)16-5-3-2-4-6-16/h2-6,10,13-14,17H,7-9,11-12H2,1H3,(H,21,22).
What are the key properties of 1-[4-(1H-imidazol-5-yl)-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone?
1-[4-(1H-imidazol-5-yl)-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 365.44 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-imidazol-5-yl)-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 122703732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).