1,3-dimethyl-N-(oxetan-3-yl)pyrazole-4-carboxamide

C9H13N3O2 — CID 102801920

IUPAC1,3-dimethyl-N-(oxetan-3-yl)pyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NC1COC1
InChIInChI=1S/C9H13N3O2/c1-6-8(3-12(2)11-6)9(13)10-7-4-14-5-7/h3,7H,4-5H2,1-2H3,(H,10,13)
InChIKeyMQOOVVDLFBQCEJ-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.14
Rot. Bonds2

About 1,3-dimethyl-N-(oxetan-3-yl)pyrazole-4-carboxamide

1,3-dimethyl-N-(oxetan-3-yl)pyrazole-4-carboxamide (PubChem CID 102801920) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1,3-dimethyl-N-(oxetan-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(oxetan-3-yl)pyrazole-4-carboxamide
PubChem CID102801920
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name1,3-dimethyl-N-(oxetan-3-yl)pyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NC1COC1
InChIInChI=1S/C9H13N3O2/c1-6-8(3-12(2)11-6)9(13)10-7-4-14-5-7/h3,7H,4-5H2,1-2H3,(H,10,13)
InChIKeyMQOOVVDLFBQCEJ-UHFFFAOYSA-N
XLogP-0.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(oxetan-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(oxetan-3-yl)pyrazole-4-carboxamide (CID 102801920) is 1,3-dimethyl-N-(oxetan-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(oxetan-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(oxetan-3-yl)pyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)NC1COC1.
What is the InChIKey of 1,3-dimethyl-N-(oxetan-3-yl)pyrazole-4-carboxamide?
The InChIKey is MQOOVVDLFBQCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6-8(3-12(2)11-6)9(13)10-7-4-14-5-7/h3,7H,4-5H2,1-2H3,(H,10,13).
What are the key properties of 1,3-dimethyl-N-(oxetan-3-yl)pyrazole-4-carboxamide?
1,3-dimethyl-N-(oxetan-3-yl)pyrazole-4-carboxamide has a molecular weight of 195.22 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(oxetan-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 102801920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).