1-(difluoromethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide

C15H13F2N5O2 — CID 72837401

IUPAC1-(difluoromethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide
SMILESCN(Cc1cc(-c2ccncc2)no1)C(=O)c1ccn(C(F)F)n1
InChIInChI=1S/C15H13F2N5O2/c1-21(14(23)12-4-7-22(19-12)15(16)17)9-11-8-13(20-24-11)10-2-5-18-6-3-10/h2-8,15H,9H2,1H3
InChIKeyABSPQOUIXDVDAN-UHFFFAOYSA-N
MW333.30 g/mol
LogP2.60
Rot. Bonds5

About 1-(difluoromethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide

1-(difluoromethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide (PubChem CID 72837401) has the molecular formula C15H13F2N5O2 and a molecular weight of 333.30 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide
PubChem CID72837401
Molecular FormulaC15H13F2N5O2
Molecular Weight333.30 g/mol
Exact Mass333.10
IUPAC Name1-(difluoromethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide
SMILESCN(Cc1cc(-c2ccncc2)no1)C(=O)c1ccn(C(F)F)n1
InChIInChI=1S/C15H13F2N5O2/c1-21(14(23)12-4-7-22(19-12)15(16)17)9-11-8-13(20-24-11)10-2-5-18-6-3-10/h2-8,15H,9H2,1H3
InChIKeyABSPQOUIXDVDAN-UHFFFAOYSA-N
XLogP2.60
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 70786653
2-ethyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-5-carboxamide
CID 70757281
N-methyl-4-pyrazol-1-yl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]benzamide
CID 131898307
1-tert-butyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrrole-3-carboxamide
CID 91762349
1-methyl-3-(2-methylbutyl)-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea
CID 119060814
N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide
CID 70771738
1-methyl-3-[(2R)-2-methylbutyl]-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea
CID 126427845
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72902762
(2R)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]propanamide
CID 97204137
(3R)-N-methyl-3-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]butanamide
CID 97202176
2-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 72888940
1-(2-methoxyphenyl)-N,4-dimethyl-2-oxo-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide
CID 172661925

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide (CID 72837401) is 1-(difluoromethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide is CN(Cc1cc(-c2ccncc2)no1)C(=O)c1ccn(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is ABSPQOUIXDVDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5O2/c1-21(14(23)12-4-7-22(19-12)15(16)17)9-11-8-13(20-24-11)10-2-5-18-6-3-10/h2-8,15H,9H2,1H3.
What are the key properties of 1-(difluoromethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide?
1-(difluoromethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 333.30 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 72837401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).