4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide

C17H23N7O3 — CID 165415406

IUPAC4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
SMILESCCNC(=O)c1c(NC(=O)c2c(C(=O)N3CCC3)cnn2C)cnn1CC
InChIInChI=1S/C17H23N7O3/c1-4-18-15(25)14-12(10-20-24(14)5-2)21-16(26)13-11(9-19-22(13)3)17(27)23-7-6-8-23/h9-10H,4-8H2,1-3H3,(H,18,25)(H,21,26)
InChIKeyRIYXOVBNDYVBIX-UHFFFAOYSA-N
MW373.42 g/mol
LogP0.48
Rot. Bonds6

About 4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 165415406) has the molecular formula C17H23N7O3 and a molecular weight of 373.42 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
PubChem CID165415406
Molecular FormulaC17H23N7O3
Molecular Weight373.42 g/mol
Exact Mass373.19
IUPAC Name4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
SMILESCCNC(=O)c1c(NC(=O)c2c(C(=O)N3CCC3)cnn2C)cnn1CC
InChIInChI=1S/C17H23N7O3/c1-4-18-15(25)14-12(10-20-24(14)5-2)21-16(26)13-11(9-19-22(13)3)17(27)23-7-6-8-23/h9-10H,4-8H2,1-3H3,(H,18,25)(H,21,26)
InChIKeyRIYXOVBNDYVBIX-UHFFFAOYSA-N
XLogP0.48
TPSA114.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide (CID 165415406) is 4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide is CCNC(=O)c1c(NC(=O)c2c(C(=O)N3CCC3)cnn2C)cnn1CC.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is RIYXOVBNDYVBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O3/c1-4-18-15(25)14-12(10-20-24(14)5-2)21-16(26)13-11(9-19-22(13)3)17(27)23-7-6-8-23/h9-10H,4-8H2,1-3H3,(H,18,25)(H,21,26).
What are the key properties of 4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 165415406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).