N-(1-methylpyrazol-3-yl)oxolane-2-carboxamide

C9H13N3O2 — CID 45352996

IUPACN-(1-methylpyrazol-3-yl)oxolane-2-carboxamide
SMILESCn1ccc(NC(=O)C2CCCO2)n1
InChIInChI=1S/C9H13N3O2/c1-12-5-4-8(11-12)10-9(13)7-3-2-6-14-7/h4-5,7H,2-3,6H2,1H3,(H,10,11,13)
InChIKeyZNLIXGWHDDBXAO-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.54
Rot. Bonds2

About N-(1-methylpyrazol-3-yl)oxolane-2-carboxamide

N-(1-methylpyrazol-3-yl)oxolane-2-carboxamide (PubChem CID 45352996) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)oxolane-2-carboxamide
PubChem CID45352996
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-(1-methylpyrazol-3-yl)oxolane-2-carboxamide
SMILESCn1ccc(NC(=O)C2CCCO2)n1
InChIInChI=1S/C9H13N3O2/c1-12-5-4-8(11-12)10-9(13)7-3-2-6-14-7/h4-5,7H,2-3,6H2,1H3,(H,10,11,13)
InChIKeyZNLIXGWHDDBXAO-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-cyclopentylpyrazol-3-yl)oxolane-2-carboxamide
CID 39965405
(2S)-2-ethoxy-N-(1-methylpyrazol-3-yl)butanamide
CID 94181328
(2S)-N-(1-tert-butylpyrazol-3-yl)-2-cyclopentyloxybutanamide
CID 95625272
3-[1-(2-methoxyethyl)pyrazol-3-yl]-1-[[(2R)-oxolan-2-yl]methyl]-1-prop-2-ynylurea
CID 97063114
N-(2-butylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 60557713
3,3-Difluoro-5-[[(1-methylpyrazol-3-yl)amino]methyl]oxolan-2-one
CID 106492738
5-[[(1-Ethylpyrazol-3-yl)amino]methyl]-3,3-difluorooxolan-2-one
CID 114252054
3,3-Difluoro-5-[[(1-propan-2-ylpyrazol-3-yl)amino]methyl]oxolan-2-one
CID 114252100
(2S,5R)-5-(aminomethyl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide
CID 120795924
2-(oxolan-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide
CID 126793619
N-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide
CID 126834940
(2R)-N-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide
CID 126837045

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)oxolane-2-carboxamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)oxolane-2-carboxamide (CID 45352996) is N-(1-methylpyrazol-3-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)oxolane-2-carboxamide is Cn1ccc(NC(=O)C2CCCO2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)oxolane-2-carboxamide?
The InChIKey is ZNLIXGWHDDBXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-12-5-4-8(11-12)10-9(13)7-3-2-6-14-7/h4-5,7H,2-3,6H2,1H3,(H,10,11,13).
What are the key properties of N-(1-methylpyrazol-3-yl)oxolane-2-carboxamide?
N-(1-methylpyrazol-3-yl)oxolane-2-carboxamide has a molecular weight of 195.22 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)oxolane-2-carboxamide is sourced from PubChem (CID 45352996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).