5-cyclopropyl-N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide

C18H18N4O2 — CID 166219078

IUPAC5-cyclopropyl-N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide
SMILESCc1coc(-c2ccc(C)c(NC(=O)c3cc(C4CC4)[nH]n3)c2)n1
InChIInChI=1S/C18H18N4O2/c1-10-3-4-13(18-19-11(2)9-24-18)7-14(10)20-17(23)16-8-15(21-22-16)12-5-6-12/h3-4,7-9,12H,5-6H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyNVCIBFRGWZLSCT-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.81
Rot. Bonds4

About 5-cyclopropyl-N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide (PubChem CID 166219078) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide
PubChem CID166219078
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name5-cyclopropyl-N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide
SMILESCc1coc(-c2ccc(C)c(NC(=O)c3cc(C4CC4)[nH]n3)c2)n1
InChIInChI=1S/C18H18N4O2/c1-10-3-4-13(18-19-11(2)9-24-18)7-14(10)20-17(23)16-8-15(21-22-16)12-5-6-12/h3-4,7-9,12H,5-6H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyNVCIBFRGWZLSCT-UHFFFAOYSA-N
XLogP3.81
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide
CID 166224779
N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 166219072
N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 40654834
4-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)anilino]cyclohexane-1-carboxylic acid
CID 122029926
N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119940404
3-amino-N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide;hydrochloride
CID 119342913
2-(2-methoxyethylamino)-N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]acetamide;hydrochloride
CID 119817439
5-(difluoromethyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide
CID 166323565
2-(3,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 84552788
5-cyclopropyl-N-[4-(pyrimidin-2-ylamino)sulfanylphenyl]-1H-pyrazole-3-carboxamide
CID 145039700
5-cyclopropyl-N-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-1H-pyrazole-3-carboxamide
CID 122151190
5-cyclopropyl-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119500515

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide (CID 166219078) is 5-cyclopropyl-N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide is Cc1coc(-c2ccc(C)c(NC(=O)c3cc(C4CC4)[nH]n3)c2)n1.
What is the InChIKey of 5-cyclopropyl-N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide?
The InChIKey is NVCIBFRGWZLSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-10-3-4-13(18-19-11(2)9-24-18)7-14(10)20-17(23)16-8-15(21-22-16)12-5-6-12/h3-4,7-9,12H,5-6H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 5-cyclopropyl-N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 166219078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).