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

C16H22N6O2 — CID 165415332

IUPAC4-(azetidine-1-carbonyl)-N-(5-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide
SMILESCCCCc1cc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)n[nH]1
InChIInChI=1S/C16H22N6O2/c1-3-4-6-11-9-13(20-19-11)18-15(23)14-12(10-17-21(14)2)16(24)22-7-5-8-22/h9-10H,3-8H2,1-2H3,(H2,18,19,20,23)
InChIKeyNHFSUXZRIRVHMI-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.58
Rot. Bonds6

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

4-(azetidine-1-carbonyl)-N-(5-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 165415332) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-(5-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-(5-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide
PubChem CID165415332
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name4-(azetidine-1-carbonyl)-N-(5-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide
SMILESCCCCc1cc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)n[nH]1
InChIInChI=1S/C16H22N6O2/c1-3-4-6-11-9-13(20-19-11)18-15(23)14-12(10-17-21(14)2)16(24)22-7-5-8-22/h9-10H,3-8H2,1-2H3,(H2,18,19,20,23)
InChIKeyNHFSUXZRIRVHMI-UHFFFAOYSA-N
XLogP1.58
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.58
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-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-(5-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide (CID 165415332) is 4-(azetidine-1-carbonyl)-N-(5-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-N-(5-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-(5-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide is CCCCc1cc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)n[nH]1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-(5-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is NHFSUXZRIRVHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-3-4-6-11-9-13(20-19-11)18-15(23)14-12(10-17-21(14)2)16(24)22-7-5-8-22/h9-10H,3-8H2,1-2H3,(H2,18,19,20,23).
What are the key properties of 4-(azetidine-1-carbonyl)-N-(5-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-(5-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.58, 6 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-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 165415332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).