2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide

C10H15N3O2 — CID 19475536

IUPAC2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCC1CCCO1
InChIInChI=1S/C10H15N3O2/c1-13-9(4-5-12-13)10(14)11-7-8-3-2-6-15-8/h4-5,8H,2-3,6-7H2,1H3,(H,11,14)
InChIKeyMRXOKJQSUDMBNY-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.33
Rot. Bonds3

About 2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide

2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 19475536) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID19475536
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCC1CCCO1
InChIInChI=1S/C10H15N3O2/c1-13-9(4-5-12-13)10(14)11-7-8-3-2-6-15-8/h4-5,8H,2-3,6-7H2,1H3,(H,11,14)
InChIKeyMRXOKJQSUDMBNY-UHFFFAOYSA-N
XLogP0.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-iodo-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide
CID 4167409
4-iodo-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-5-carboxamide
CID 40553880
N-[(4,4-dimethylcyclohexyl)methyl]-2-methylpyrazole-3-carboxamide
CID 166874447
methyl 3-[(2-methylpyrazole-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoate
CID 78964016
2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110768911
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
2-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19506994
2,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 136538538
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 7437573
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide (CID 19475536) is 2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide is Cn1nccc1C(=O)NCC1CCCO1.
What is the InChIKey of 2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is MRXOKJQSUDMBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13-9(4-5-12-13)10(14)11-7-8-3-2-6-15-8/h4-5,8H,2-3,6-7H2,1H3,(H,11,14).
What are the key properties of 2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19475536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).