4-(azetidine-1-carbonyl)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide

C14H18N6O2 — CID 165415435

IUPAC4-(azetidine-1-carbonyl)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
SMILESCCn1ccc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)n1
InChIInChI=1S/C14H18N6O2/c1-3-20-8-5-11(17-20)16-13(21)12-10(9-15-18(12)2)14(22)19-6-4-7-19/h5,8-9H,3-4,6-7H2,1-2H3,(H,16,17,21)
InChIKeyBQCGZRHCIVDJNJ-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.73
Rot. Bonds4

About 4-(azetidine-1-carbonyl)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 165415435) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
PubChem CID165415435
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name4-(azetidine-1-carbonyl)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
SMILESCCn1ccc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)n1
InChIInChI=1S/C14H18N6O2/c1-3-20-8-5-11(17-20)16-13(21)12-10(9-15-18(12)2)14(22)19-6-4-7-19/h5,8-9H,3-4,6-7H2,1-2H3,(H,16,17,21)
InChIKeyBQCGZRHCIVDJNJ-UHFFFAOYSA-N
XLogP0.73
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(3-butyl-1-cyclopentylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide
CID 165415232
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-(1-cyclopentyl-3-propan-2-ylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide
CID 165415379
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-(2-methoxyethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415397

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide (CID 165415435) is 4-(azetidine-1-carbonyl)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide is CCn1ccc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)n1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is BQCGZRHCIVDJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-3-20-8-5-11(17-20)16-13(21)12-10(9-15-18(12)2)14(22)19-6-4-7-19/h5,8-9H,3-4,6-7H2,1-2H3,(H,16,17,21).
What are the key properties of 4-(azetidine-1-carbonyl)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 302.34 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 165415435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).