N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide

C21H17FN4O2 — CID 99818354

IUPACN-(2-cyclopropyl-1,3-benzoxazol-6-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3nc(C4CC4)oc3c2)cnn1-c1ccccc1F
InChIInChI=1S/C21H17FN4O2/c1-12-15(11-23-26(12)18-5-3-2-4-16(18)22)20(27)24-14-8-9-17-19(10-14)28-21(25-17)13-6-7-13/h2-5,8-11,13H,6-7H2,1H3,(H,24,27)
InChIKeyGJWLKDAGAGSJRN-UHFFFAOYSA-N
MW376.39 g/mol
LogP4.59
Rot. Bonds4

About N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide

N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 99818354) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1,3-benzoxazol-6-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
PubChem CID99818354
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC NameN-(2-cyclopropyl-1,3-benzoxazol-6-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3nc(C4CC4)oc3c2)cnn1-c1ccccc1F
InChIInChI=1S/C21H17FN4O2/c1-12-15(11-23-26(12)18-5-3-2-4-16(18)22)20(27)24-14-8-9-17-19(10-14)28-21(25-17)13-6-7-13/h2-5,8-11,13H,6-7H2,1H3,(H,24,27)
InChIKeyGJWLKDAGAGSJRN-UHFFFAOYSA-N
XLogP4.59
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 34735906
1-(2-fluorophenyl)-5-methyl-N-(4-methylphenyl)pyrazole-4-carboxamide
CID 33398860
methyl 2-chloro-5-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]benzoate
CID 38239464
1-(2-fluorophenyl)-5-methyl-N-(3-nitrophenyl)pyrazole-4-carboxamide
CID 33398323
1-(2-fluorophenyl)-N-(4-imidazol-1-ylphenyl)-5-methylpyrazole-4-carboxamide
CID 37186741
N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71860884
2-cyclopropyl-2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]acetic acid
CID 119213517
3-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)propanamide
CID 83627412
N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-(methylamino)acetamide
CID 83627413
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55521376
N'-(2,5-dimethylfuran-3-carbonyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 33481092
N'-(2-fluorobenzoyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 33480680

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide (CID 99818354) is N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc3nc(C4CC4)oc3c2)cnn1-c1ccccc1F.
What is the InChIKey of N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is GJWLKDAGAGSJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-12-15(11-23-26(12)18-5-3-2-4-16(18)22)20(27)24-14-8-9-17-19(10-14)28-21(25-17)13-6-7-13/h2-5,8-11,13H,6-7H2,1H3,(H,24,27).
What are the key properties of N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 99818354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).