4-(azetidine-1-carbonyl)-N-(5-cyclobutyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide

C16H20N6O2 — CID 165415408

IUPAC4-(azetidine-1-carbonyl)-N-(5-cyclobutyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc(C2CCC2)[nH]n1
InChIInChI=1S/C16H20N6O2/c1-21-14(11(9-17-21)16(24)22-6-3-7-22)15(23)18-13-8-12(19-20-13)10-4-2-5-10/h8-10H,2-7H2,1H3,(H2,18,19,20,23)
InChIKeyQWQRRUGSFQUDPH-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.51
Rot. Bonds4

About 4-(azetidine-1-carbonyl)-N-(5-cyclobutyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-N-(5-cyclobutyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 165415408) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-(5-cyclobutyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-(5-cyclobutyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide
PubChem CID165415408
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name4-(azetidine-1-carbonyl)-N-(5-cyclobutyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc(C2CCC2)[nH]n1
InChIInChI=1S/C16H20N6O2/c1-21-14(11(9-17-21)16(24)22-6-3-7-22)15(23)18-13-8-12(19-20-13)10-4-2-5-10/h8-10H,2-7H2,1H3,(H2,18,19,20,23)
InChIKeyQWQRRUGSFQUDPH-UHFFFAOYSA-N
XLogP1.51
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.51
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)-N-(5-cyclobutyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-(5-cyclobutyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide (CID 165415408) is 4-(azetidine-1-carbonyl)-N-(5-cyclobutyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-N-(5-cyclobutyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-(5-cyclobutyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc(C2CCC2)[nH]n1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-(5-cyclobutyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is QWQRRUGSFQUDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-21-14(11(9-17-21)16(24)22-6-3-7-22)15(23)18-13-8-12(19-20-13)10-4-2-5-10/h8-10H,2-7H2,1H3,(H2,18,19,20,23).
What are the key properties of 4-(azetidine-1-carbonyl)-N-(5-cyclobutyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-(5-cyclobutyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 1.51, 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)-N-(5-cyclobutyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 165415408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).