N-[4-(3-methylpyrazol-1-yl)phenyl]oxolane-2-carboxamide

C15H17N3O2 — CID 45154182

IUPACN-[4-(3-methylpyrazol-1-yl)phenyl]oxolane-2-carboxamide
SMILESCc1ccn(-c2ccc(NC(=O)C3CCCO3)cc2)n1
InChIInChI=1S/C15H17N3O2/c1-11-8-9-18(17-11)13-6-4-12(5-7-13)16-15(19)14-3-2-10-20-14/h4-9,14H,2-3,10H2,1H3,(H,16,19)
InChIKeyMLAKMYAZUBEJKI-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.30
Rot. Bonds3

About N-[4-(3-methylpyrazol-1-yl)phenyl]oxolane-2-carboxamide

N-[4-(3-methylpyrazol-1-yl)phenyl]oxolane-2-carboxamide (PubChem CID 45154182) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[4-(3-methylpyrazol-1-yl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methylpyrazol-1-yl)phenyl]oxolane-2-carboxamide
PubChem CID45154182
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[4-(3-methylpyrazol-1-yl)phenyl]oxolane-2-carboxamide
SMILESCc1ccn(-c2ccc(NC(=O)C3CCCO3)cc2)n1
InChIInChI=1S/C15H17N3O2/c1-11-8-9-18(17-11)13-6-4-12(5-7-13)16-15(19)14-3-2-10-20-14/h4-9,14H,2-3,10H2,1H3,(H,16,19)
InChIKeyMLAKMYAZUBEJKI-UHFFFAOYSA-N
XLogP2.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[4-(tetrazol-1-yl)phenyl]oxolane-2-carboxamide
CID 40986910
N-[4-(azepan-1-yl)phenyl]oxolane-2-carboxamide
CID 51197534
(2R)-N-(4-morpholin-4-ylphenyl)oxolane-2-carboxamide
CID 2476290
5-methyl-N-[4-[[(2S)-oxolane-2-carbonyl]amino]phenyl]pyrazine-2-carboxamide
CID 37396639
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
N-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986386
N-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide
CID 119711447
N-phenyloxolane-2-carboxamide
CID 3453643
(2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide
CID 40572409
methyl 4-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 1086797
trans-(1R,2R)-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-phenylcyclopropane-1-carboxamide
CID 35533273
N-[4-(1-methylimidazole-2-carbonyl)phenyl]oxolane-2-carboxamide
CID 51187686

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylpyrazol-1-yl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(3-methylpyrazol-1-yl)phenyl]oxolane-2-carboxamide (CID 45154182) is N-[4-(3-methylpyrazol-1-yl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(3-methylpyrazol-1-yl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(3-methylpyrazol-1-yl)phenyl]oxolane-2-carboxamide is Cc1ccn(-c2ccc(NC(=O)C3CCCO3)cc2)n1.
What is the InChIKey of N-[4-(3-methylpyrazol-1-yl)phenyl]oxolane-2-carboxamide?
The InChIKey is MLAKMYAZUBEJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-8-9-18(17-11)13-6-4-12(5-7-13)16-15(19)14-3-2-10-20-14/h4-9,14H,2-3,10H2,1H3,(H,16,19).
What are the key properties of N-[4-(3-methylpyrazol-1-yl)phenyl]oxolane-2-carboxamide?
N-[4-(3-methylpyrazol-1-yl)phenyl]oxolane-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylpyrazol-1-yl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 45154182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).