N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(4-cyclopropyl-2-fluorophenyl)-4-methyl-1,2-oxazole-3-carboxamide

C25H29FN4O3 — CID 118514746

IUPACN-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(4-cyclopropyl-2-fluorophenyl)-4-methyl-1,2-oxazole-3-carboxamide
SMILESCc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1-c1ccc(C2CC2)cc1F
InChIInChI=1S/C25H29FN4O3/c1-14-21(28-33-23(14)19-12-11-17(13-20(19)26)16-9-10-16)24(31)27-22-15(2)29(3)30(25(22)32)18-7-5-4-6-8-18/h11-13,16,18H,4-10H2,1-3H3,(H,27,31)
InChIKeyCDRDRKAKIVKXLK-UHFFFAOYSA-N
MW452.53 g/mol
LogP5.23
Rot. Bonds5

About N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(4-cyclopropyl-2-fluorophenyl)-4-methyl-1,2-oxazole-3-carboxamide

N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(4-cyclopropyl-2-fluorophenyl)-4-methyl-1,2-oxazole-3-carboxamide (PubChem CID 118514746) has the molecular formula C25H29FN4O3 and a molecular weight of 452.53 g/mol. Its IUPAC name is N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(4-cyclopropyl-2-fluorophenyl)-4-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(4-cyclopropyl-2-fluorophenyl)-4-methyl-1,2-oxazole-3-carboxamide
PubChem CID118514746
Molecular FormulaC25H29FN4O3
Molecular Weight452.53 g/mol
Exact Mass452.22
IUPAC NameN-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(4-cyclopropyl-2-fluorophenyl)-4-methyl-1,2-oxazole-3-carboxamide
SMILESCc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1-c1ccc(C2CC2)cc1F
InChIInChI=1S/C25H29FN4O3/c1-14-21(28-33-23(14)19-12-11-17(13-20(19)26)16-9-10-16)24(31)27-22-15(2)29(3)30(25(22)32)18-7-5-4-6-8-18/h11-13,16,18H,4-10H2,1-3H3,(H,27,31)
InChIKeyCDRDRKAKIVKXLK-UHFFFAOYSA-N
XLogP5.23
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.53
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-chloro-4-cyclopropylphenyl)-N-[1-(2-fluorophenyl)-2,3-dimethyl-5-oxopyrazol-4-yl]-4-methyl-1,2-oxazole-3-carboxamide
CID 118514742
N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-formyl-4-methyl-1,2-oxazole-3-carboxamide
CID 118511079
N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-cyclopropyl-5-[4-methoxy-2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 118514696
N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-[4-(trifluoromethyl)cyclohexen-1-yl]-1,2-oxazole-3-carboxamide
CID 118511022
4-chloro-5-[2-chloro-4-(difluoromethoxy)phenyl]-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-1,2-oxazole-3-carboxamide
CID 118514737
N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(3,3-dimethylbutyl)-4-methyl-1,2-oxazole-3-carboxamide
CID 118511049
5-(4-bromo-5-methyloxan-2-yl)-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-1,2-oxazole-3-carboxamide
CID 118511028
N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(6-methyl-3,6-dihydro-2H-pyran-2-yl)-1,2-oxazole-3-carboxamide
CID 118511167
N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-[(2S,6S)-6-methyl-3,6-dihydro-2H-pyran-2-yl]-1,2-oxazole-3-carboxamide
CID 118511165
5-[(2R,6S)-6-tert-butyloxan-2-yl]-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-1,2-oxazole-3-carboxamide
CID 118511065
N-[1-(2-fluorophenyl)-2,3-dimethyl-5-oxopyrazol-4-yl]-5-(4-methoxy-2-methylphenyl)-4-methyl-1,2-oxazole-3-carboxamide
CID 118514750
5-[(2R,4R,6S)-6-tert-butyl-4-methoxyoxan-2-yl]-N-(1-cyclobutyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-1,2-oxazole-3-carboxamide
CID 118511178

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(4-cyclopropyl-2-fluorophenyl)-4-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(4-cyclopropyl-2-fluorophenyl)-4-methyl-1,2-oxazole-3-carboxamide (CID 118514746) is N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(4-cyclopropyl-2-fluorophenyl)-4-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(4-cyclopropyl-2-fluorophenyl)-4-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(4-cyclopropyl-2-fluorophenyl)-4-methyl-1,2-oxazole-3-carboxamide is Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1-c1ccc(C2CC2)cc1F.
What is the InChIKey of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(4-cyclopropyl-2-fluorophenyl)-4-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is CDRDRKAKIVKXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O3/c1-14-21(28-33-23(14)19-12-11-17(13-20(19)26)16-9-10-16)24(31)27-22-15(2)29(3)30(25(22)32)18-7-5-4-6-8-18/h11-13,16,18H,4-10H2,1-3H3,(H,27,31).
What are the key properties of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(4-cyclopropyl-2-fluorophenyl)-4-methyl-1,2-oxazole-3-carboxamide?
N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(4-cyclopropyl-2-fluorophenyl)-4-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 452.53 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(4-cyclopropyl-2-fluorophenyl)-4-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118514746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).