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

C16H15ClN6O3 — CID 143051989

IUPAC5-chloro-1-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazole-4-carboxamide
SMILESCc1cc(NC(=O)Nc2ccc(NC(=O)c3cnn(C)c3Cl)cc2)no1
InChIInChI=1S/C16H15ClN6O3/c1-9-7-13(22-26-9)21-16(25)20-11-5-3-10(4-6-11)19-15(24)12-8-18-23(2)14(12)17/h3-8H,1-2H3,(H,19,24)(H2,20,21,22,25)
InChIKeyMXHRRCXGPZIRQJ-UHFFFAOYSA-N
MW374.79 g/mol
LogP3.27
Rot. Bonds4

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

5-chloro-1-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazole-4-carboxamide (PubChem CID 143051989) has the molecular formula C16H15ClN6O3 and a molecular weight of 374.79 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazole-4-carboxamide
PubChem CID143051989
Molecular FormulaC16H15ClN6O3
Molecular Weight374.79 g/mol
Exact Mass374.09
IUPAC Name5-chloro-1-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazole-4-carboxamide
SMILESCc1cc(NC(=O)Nc2ccc(NC(=O)c3cnn(C)c3Cl)cc2)no1
InChIInChI=1S/C16H15ClN6O3/c1-9-7-13(22-26-9)21-16(25)20-11-5-3-10(4-6-11)19-15(24)12-8-18-23(2)14(12)17/h3-8H,1-2H3,(H,19,24)(H2,20,21,22,25)
InChIKeyMXHRRCXGPZIRQJ-UHFFFAOYSA-N
XLogP3.27
TPSA114.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.79
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-5-chloro-1-methylpyrazole-4-carboxamide
CID 75538051
1-(4-aminophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812089
1-(3,5-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 6467048
1-[4-[1-(methylamino)ethyl]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 61339817
1-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylurea
CID 47129987
1-(3,5-dihydroxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108895478
1-ethyl-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide
CID 844731
1-N-(3,4-dichlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050241
ethane;1-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(4-methylphenyl)methyl]phenyl]urea;molecular hydrogen
CID 143052396
1-(1H-indazol-6-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812161
1-(3-chloro-4-imidazol-1-ylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 56786021
2-chloro-5-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 106501199

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazole-4-carboxamide (CID 143051989) is 5-chloro-1-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazole-4-carboxamide is Cc1cc(NC(=O)Nc2ccc(NC(=O)c3cnn(C)c3Cl)cc2)no1.
What is the InChIKey of 5-chloro-1-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazole-4-carboxamide?
The InChIKey is MXHRRCXGPZIRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O3/c1-9-7-13(22-26-9)21-16(25)20-11-5-3-10(4-6-11)19-15(24)12-8-18-23(2)14(12)17/h3-8H,1-2H3,(H,19,24)(H2,20,21,22,25).
What are the key properties of 5-chloro-1-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazole-4-carboxamide?
5-chloro-1-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazole-4-carboxamide has a molecular weight of 374.79 g/mol, XLogP of 3.27, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 143051989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).