4-(azetidine-1-carbonyl)-1-methyl-N-(1-propylpyrazol-3-yl)pyrazole-5-carboxamide

C15H20N6O2 — CID 165415431

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-(1-propylpyrazol-3-yl)pyrazole-5-carboxamide
SMILESCCCn1ccc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)n1
InChIInChI=1S/C15H20N6O2/c1-3-6-21-9-5-12(18-21)17-14(22)13-11(10-16-19(13)2)15(23)20-7-4-8-20/h5,9-10H,3-4,6-8H2,1-2H3,(H,17,18,22)
InChIKeyLHKNOUYZPNUIQU-UHFFFAOYSA-N
MW316.37 g/mol
LogP1.12
Rot. Bonds5

About 4-(azetidine-1-carbonyl)-1-methyl-N-(1-propylpyrazol-3-yl)pyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-1-methyl-N-(1-propylpyrazol-3-yl)pyrazole-5-carboxamide (PubChem CID 165415431) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-(1-propylpyrazol-3-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-(1-propylpyrazol-3-yl)pyrazole-5-carboxamide
PubChem CID165415431
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-(1-propylpyrazol-3-yl)pyrazole-5-carboxamide
SMILESCCCn1ccc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)n1
InChIInChI=1S/C15H20N6O2/c1-3-6-21-9-5-12(18-21)17-14(22)13-11(10-16-19(13)2)15(23)20-7-4-8-20/h5,9-10H,3-4,6-8H2,1-2H3,(H,17,18,22)
InChIKeyLHKNOUYZPNUIQU-UHFFFAOYSA-N
XLogP1.12
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.12
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-propylpyrazol-3-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-(1-propylpyrazol-3-yl)pyrazole-5-carboxamide (CID 165415431) is 4-(azetidine-1-carbonyl)-1-methyl-N-(1-propylpyrazol-3-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-(1-propylpyrazol-3-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-(1-propylpyrazol-3-yl)pyrazole-5-carboxamide is CCCn1ccc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)n1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-(1-propylpyrazol-3-yl)pyrazole-5-carboxamide?
The InChIKey is LHKNOUYZPNUIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-3-6-21-9-5-12(18-21)17-14(22)13-11(10-16-19(13)2)15(23)20-7-4-8-20/h5,9-10H,3-4,6-8H2,1-2H3,(H,17,18,22).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-(1-propylpyrazol-3-yl)pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-(1-propylpyrazol-3-yl)pyrazole-5-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 1.12, 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-propylpyrazol-3-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 165415431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).