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

C16H22N6O2 — CID 165415389

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-methylpropyl)pyrazol-3-yl]pyrazole-5-carboxamide
SMILESCC(C)Cn1ccc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)n1
InChIInChI=1S/C16H22N6O2/c1-11(2)10-22-8-5-13(19-22)18-15(23)14-12(9-17-20(14)3)16(24)21-6-4-7-21/h5,8-9,11H,4,6-7,10H2,1-3H3,(H,18,19,23)
InChIKeyONUHIUQKEHAUGK-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.37
Rot. Bonds5

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

4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-methylpropyl)pyrazol-3-yl]pyrazole-5-carboxamide (PubChem CID 165415389) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-methylpropyl)pyrazol-3-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-methylpropyl)pyrazol-3-yl]pyrazole-5-carboxamide
PubChem CID165415389
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-methylpropyl)pyrazol-3-yl]pyrazole-5-carboxamide
SMILESCC(C)Cn1ccc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)n1
InChIInChI=1S/C16H22N6O2/c1-11(2)10-22-8-5-13(19-22)18-15(23)14-12(9-17-20(14)3)16(24)21-6-4-7-21/h5,8-9,11H,4,6-7,10H2,1-3H3,(H,18,19,23)
InChIKeyONUHIUQKEHAUGK-UHFFFAOYSA-N
XLogP1.37
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.37
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-[1-(2-methylpropyl)pyrazol-3-yl]pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-methylpropyl)pyrazol-3-yl]pyrazole-5-carboxamide (CID 165415389) is 4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-methylpropyl)pyrazol-3-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-methylpropyl)pyrazol-3-yl]pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-methylpropyl)pyrazol-3-yl]pyrazole-5-carboxamide is CC(C)Cn1ccc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)n1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-methylpropyl)pyrazol-3-yl]pyrazole-5-carboxamide?
The InChIKey is ONUHIUQKEHAUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-11(2)10-22-8-5-13(19-22)18-15(23)14-12(9-17-20(14)3)16(24)21-6-4-7-21/h5,8-9,11H,4,6-7,10H2,1-3H3,(H,18,19,23).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-methylpropyl)pyrazol-3-yl]pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-methylpropyl)pyrazol-3-yl]pyrazole-5-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.37, 5 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-[1-(2-methylpropyl)pyrazol-3-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 165415389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).