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

C21H24N6O2 — CID 71288501

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-[2-(4-methyl-1-phenylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide
SMILESCc1cn(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCC2)cnn1C
InChIInChI=1S/C21H24N6O2/c1-15-14-27(16-7-4-3-5-8-16)24-18(15)9-10-22-20(28)19-17(13-23-25(19)2)21(29)26-11-6-12-26/h3-5,7-8,13-14H,6,9-12H2,1-2H3,(H,22,28)
InChIKeyKHHOYCYBSVUQSM-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.73
Rot. Bonds6

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

4-(azetidine-1-carbonyl)-1-methyl-N-[2-(4-methyl-1-phenylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide (PubChem CID 71288501) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(4-methyl-1-phenylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-(4-methyl-1-phenylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide
PubChem CID71288501
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-(4-methyl-1-phenylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide
SMILESCc1cn(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCC2)cnn1C
InChIInChI=1S/C21H24N6O2/c1-15-14-27(16-7-4-3-5-8-16)24-18(15)9-10-22-20(28)19-17(13-23-25(19)2)21(29)26-11-6-12-26/h3-5,7-8,13-14H,6,9-12H2,1-2H3,(H,22,28)
InChIKeyKHHOYCYBSVUQSM-UHFFFAOYSA-N
XLogP1.73
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.73
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-(4-methyl-1-phenylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(4-methyl-1-phenylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide (CID 71288501) is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(4-methyl-1-phenylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(4-methyl-1-phenylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(4-methyl-1-phenylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide is Cc1cn(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCC2)cnn1C.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(4-methyl-1-phenylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide?
The InChIKey is KHHOYCYBSVUQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-15-14-27(16-7-4-3-5-8-16)24-18(15)9-10-22-20(28)19-17(13-23-25(19)2)21(29)26-11-6-12-26/h3-5,7-8,13-14H,6,9-12H2,1-2H3,(H,22,28).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(4-methyl-1-phenylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(4-methyl-1-phenylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 1.73, 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-(4-methyl-1-phenylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 71288501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).