4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrazole-5-carboxamide

C20H22N6O2 — CID 71288561

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)NCCn1ccc(-c2ccccc2)n1
InChIInChI=1S/C20H22N6O2/c1-24-18(16(14-22-24)20(28)25-10-5-11-25)19(27)21-9-13-26-12-8-17(23-26)15-6-3-2-4-7-15/h2-4,6-8,12,14H,5,9-11,13H2,1H3,(H,21,27)
InChIKeyZSLQULNTCKVERZ-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.56
Rot. Bonds6

About 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrazole-5-carboxamide (PubChem CID 71288561) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrazole-5-carboxamide
PubChem CID71288561
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)NCCn1ccc(-c2ccccc2)n1
InChIInChI=1S/C20H22N6O2/c1-24-18(16(14-22-24)20(28)25-10-5-11-25)19(27)21-9-13-26-12-8-17(23-26)15-6-3-2-4-7-15/h2-4,6-8,12,14H,5,9-11,13H2,1H3,(H,21,27)
InChIKeyZSLQULNTCKVERZ-UHFFFAOYSA-N
XLogP1.56
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrazole-5-carboxamide (CID 71288561) is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCn1ccc(-c2ccccc2)n1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrazole-5-carboxamide?
The InChIKey is ZSLQULNTCKVERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-24-18(16(14-22-24)20(28)25-10-5-11-25)19(27)21-9-13-26-12-8-17(23-26)15-6-3-2-4-7-15/h2-4,6-8,12,14H,5,9-11,13H2,1H3,(H,21,27).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrazole-5-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 71288561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).