4-(azetidine-1-carbonyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide

C15H20N6O3 — CID 165415397

IUPAC4-(azetidine-1-carbonyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
SMILESCOCCn1ccc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)n1
InChIInChI=1S/C15H20N6O3/c1-19-13(11(10-16-19)15(23)20-5-3-6-20)14(22)17-12-4-7-21(18-12)8-9-24-2/h4,7,10H,3,5-6,8-9H2,1-2H3,(H,17,18,22)
InChIKeyIOWGNUNKIPOMSY-UHFFFAOYSA-N
MW332.36 g/mol
LogP0.36
Rot. Bonds6

About 4-(azetidine-1-carbonyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 165415397) has the molecular formula C15H20N6O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
PubChem CID165415397
Molecular FormulaC15H20N6O3
Molecular Weight332.36 g/mol
Exact Mass332.16
IUPAC Name4-(azetidine-1-carbonyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
SMILESCOCCn1ccc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)n1
InChIInChI=1S/C15H20N6O3/c1-19-13(11(10-16-19)15(23)20-5-3-6-20)14(22)17-12-4-7-21(18-12)8-9-24-2/h4,7,10H,3,5-6,8-9H2,1-2H3,(H,17,18,22)
InChIKeyIOWGNUNKIPOMSY-UHFFFAOYSA-N
XLogP0.36
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(azetidine-1-carbonyl)-N-[1-(2,2-difluoroethyl)-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415385
4-(azetidine-1-carbonyl)-N-[1-(2-fluoroethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415409
4-(azetidine-1-carbonyl)-N-[1-(difluoromethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415421
4-(azetidine-1-carbonyl)-N-(5-butyl-1-cyclopentylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
CID 165415316
4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]pyrazole-5-carboxamide
CID 165415367
4-(azetidine-1-carbonyl)-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
CID 165415383
4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-methylpropyl)pyrazol-3-yl]pyrazole-5-carboxamide
CID 165415389
4-(azetidine-1-carbonyl)-N-(1-cyclopentyl-5-methylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
CID 165415394
4-(azetidine-1-carbonyl)-N-(1-cyclohexylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
CID 165415395
4-(azetidine-1-carbonyl)-N-[1-(cyclopropylmethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415405
4-(azetidine-1-carbonyl)-N-(1-cyclobutylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
CID 165415417
4-(azetidine-1-carbonyl)-N-(1-tert-butylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
CID 165415426

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide (CID 165415397) is 4-(azetidine-1-carbonyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide is COCCn1ccc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)n1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is IOWGNUNKIPOMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3/c1-19-13(11(10-16-19)15(23)20-5-3-6-20)14(22)17-12-4-7-21(18-12)8-9-24-2/h4,7,10H,3,5-6,8-9H2,1-2H3,(H,17,18,22).
What are the key properties of 4-(azetidine-1-carbonyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 165415397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).