4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide

C15H19N7O3 — CID 165415439

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2c(C(=O)N3CCC3)cnn2C)cnn1C
InChIInChI=1S/C15H19N7O3/c1-16-13(23)12-10(8-18-21(12)3)19-14(24)11-9(7-17-20(11)2)15(25)22-5-4-6-22/h7-8H,4-6H2,1-3H3,(H,16,23)(H,19,24)
InChIKeyXXPZYKQBXBYLPE-UHFFFAOYSA-N
MW345.36 g/mol
LogP-0.39
Rot. Bonds4

About 4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide (PubChem CID 165415439) has the molecular formula C15H19N7O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide
PubChem CID165415439
Molecular FormulaC15H19N7O3
Molecular Weight345.36 g/mol
Exact Mass345.15
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2c(C(=O)N3CCC3)cnn2C)cnn1C
InChIInChI=1S/C15H19N7O3/c1-16-13(23)12-10(8-18-21(12)3)19-14(24)11-9(7-17-20(11)2)15(25)22-5-4-6-22/h7-8H,4-6H2,1-3H3,(H,16,23)(H,19,24)
InChIKeyXXPZYKQBXBYLPE-UHFFFAOYSA-N
XLogP-0.39
TPSA114.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 165415390
4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide
CID 165415399
4-(azetidine-1-carbonyl)-1-methyl-N-(1-propylpyrazol-3-yl)pyrazole-5-carboxamide
CID 165415431
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-4-nitropyrazole-3-carboxamide
CID 698777
Pyrazole-3,4-dicarboxamide, N,N',1-trimethyl-
CID 210532
Etipirol
CID 166751
4-amino-N,1-dimethyl-1H-pyrazole-5-carboxamide
CID 6485370
4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]pyrazole-5-carboxamide
CID 165415372
4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 165415406
4-(azetidine-1-carbonyl)-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 165415434
4-(azetidine-1-carbonyl)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
CID 165415435
4-(azetidine-1-carbonyl)-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-5-carboxamide
CID 165415446

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide (CID 165415439) is 4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide is CNC(=O)c1c(NC(=O)c2c(C(=O)N3CCC3)cnn2C)cnn1C.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide?
The InChIKey is XXPZYKQBXBYLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O3/c1-16-13(23)12-10(8-18-21(12)3)19-14(24)11-9(7-17-20(11)2)15(25)22-5-4-6-22/h7-8H,4-6H2,1-3H3,(H,16,23)(H,19,24).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide has a molecular weight of 345.36 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 165415439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).