N-methyl-N-(oxolan-3-yl)-1H-pyrazole-4-carboxamide

C9H13N3O2 — CID 78947873

IUPACN-methyl-N-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]c1)C1CCOC1
InChIInChI=1S/C9H13N3O2/c1-12(8-2-3-14-6-8)9(13)7-4-10-11-5-7/h4-5,8H,2-3,6H2,1H3,(H,10,11)
InChIKeyBJLJCJKELUAHFT-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.27
Rot. Bonds2

About N-methyl-N-(oxolan-3-yl)-1H-pyrazole-4-carboxamide

N-methyl-N-(oxolan-3-yl)-1H-pyrazole-4-carboxamide (PubChem CID 78947873) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-methyl-N-(oxolan-3-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
PubChem CID78947873
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-methyl-N-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]c1)C1CCOC1
InChIInChI=1S/C9H13N3O2/c1-12(8-2-3-14-6-8)9(13)7-4-10-11-5-7/h4-5,8H,2-3,6H2,1H3,(H,10,11)
InChIKeyBJLJCJKELUAHFT-UHFFFAOYSA-N
XLogP0.27
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-methyl-N-(oxolan-3-yl)-1H-pyrazole-4-carboxamide (CID 78947873) is N-methyl-N-(oxolan-3-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-N-(oxolan-3-yl)-1H-pyrazole-4-carboxamide is CN(C(=O)c1cn[nH]c1)C1CCOC1.
What is the InChIKey of N-methyl-N-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is BJLJCJKELUAHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-12(8-2-3-14-6-8)9(13)7-4-10-11-5-7/h4-5,8H,2-3,6H2,1H3,(H,10,11).
What are the key properties of N-methyl-N-(oxolan-3-yl)-1H-pyrazole-4-carboxamide?
N-methyl-N-(oxolan-3-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 195.22 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-3-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 78947873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).