4-(azetidine-1-carbonyl)-1-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide

C15H20N6O2 — CID 165415400

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide
SMILESCC(C)c1cc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)n[nH]1
InChIInChI=1S/C15H20N6O2/c1-9(2)11-7-12(19-18-11)17-14(22)13-10(8-16-20(13)3)15(23)21-5-4-6-21/h7-9H,4-6H2,1-3H3,(H2,17,18,19,22)
InChIKeyQGBSMMPVBWDJBO-UHFFFAOYSA-N
MW316.37 g/mol
LogP1.36
Rot. Bonds4

About 4-(azetidine-1-carbonyl)-1-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-1-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide (PubChem CID 165415400) 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-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide
PubChem CID165415400
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide
SMILESCC(C)c1cc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)n[nH]1
InChIInChI=1S/C15H20N6O2/c1-9(2)11-7-12(19-18-11)17-14(22)13-10(8-16-20(13)3)15(23)21-5-4-6-21/h7-9H,4-6H2,1-3H3,(H2,17,18,19,22)
InChIKeyQGBSMMPVBWDJBO-UHFFFAOYSA-N
XLogP1.36
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide (CID 165415400) is 4-(azetidine-1-carbonyl)-1-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide is CC(C)c1cc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)n[nH]1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide?
The InChIKey is QGBSMMPVBWDJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-9(2)11-7-12(19-18-11)17-14(22)13-10(8-16-20(13)3)15(23)21-5-4-6-21/h7-9H,4-6H2,1-3H3,(H2,17,18,19,22).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-1-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 165415400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).