N-(azetidin-3-yl)-1,5-dimethylpyrazole-4-carboxamide

C9H14N4O — CID 66187230

IUPACN-(azetidin-3-yl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CNC2)cnn1C
InChIInChI=1S/C9H14N4O/c1-6-8(5-11-13(6)2)9(14)12-7-3-10-4-7/h5,7,10H,3-4H2,1-2H3,(H,12,14)
InChIKeyVFLJLQSIEMBJIE-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.57
Rot. Bonds2

About N-(azetidin-3-yl)-1,5-dimethylpyrazole-4-carboxamide

N-(azetidin-3-yl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 66187230) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N-(azetidin-3-yl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID66187230
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN-(azetidin-3-yl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CNC2)cnn1C
InChIInChI=1S/C9H14N4O/c1-6-8(5-11-13(6)2)9(14)12-7-3-10-4-7/h5,7,10H,3-4H2,1-2H3,(H,12,14)
InChIKeyVFLJLQSIEMBJIE-UHFFFAOYSA-N
XLogP-0.57
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-1,5-dimethylpyrazole-4-carboxamide (CID 66187230) is N-(azetidin-3-yl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)NC2CNC2)cnn1C.
What is the InChIKey of N-(azetidin-3-yl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is VFLJLQSIEMBJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6-8(5-11-13(6)2)9(14)12-7-3-10-4-7/h5,7,10H,3-4H2,1-2H3,(H,12,14).
What are the key properties of N-(azetidin-3-yl)-1,5-dimethylpyrazole-4-carboxamide?
N-(azetidin-3-yl)-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 194.24 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 66187230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).