1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide

C10H15N3O2 — CID 1224834

IUPAC1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC[C@H]2CCCO2)n1
InChIInChI=1S/C10H15N3O2/c1-13-5-4-9(12-13)10(14)11-7-8-3-2-6-15-8/h4-5,8H,2-3,6-7H2,1H3,(H,11,14)/t8-/m1/s1
InChIKeyWBAZBPMBDLSPCX-MRVPVSSYSA-N
MW209.25 g/mol
LogP0.33
Rot. Bonds3

About 1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide

1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide (PubChem CID 1224834) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
PubChem CID1224834
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC[C@H]2CCCO2)n1
InChIInChI=1S/C10H15N3O2/c1-13-5-4-9(12-13)10(14)11-7-8-3-2-6-15-8/h4-5,8H,2-3,6-7H2,1H3,(H,11,14)/t8-/m1/s1
InChIKeyWBAZBPMBDLSPCX-MRVPVSSYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide (CID 1224834) is 1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide is Cn1ccc(C(=O)NC[C@H]2CCCO2)n1.
What is the InChIKey of 1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide?
The InChIKey is WBAZBPMBDLSPCX-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13-5-4-9(12-13)10(14)11-7-8-3-2-6-15-8/h4-5,8H,2-3,6-7H2,1H3,(H,11,14)/t8-/m1/s1.
What are the key properties of 1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide?
1-methyl-N-[[(2R)-oxolan-2-yl]methyl]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 1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 1224834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).