4-chloro-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-5-carboxamide

C13H12ClF2N3O3 — CID 19475965

IUPAC4-chloro-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2c(Cl)cnn2C)ccc1OC(F)F
InChIInChI=1S/C13H12ClF2N3O3/c1-19-11(8(14)6-17-19)12(20)18-7-3-4-9(22-13(15)16)10(5-7)21-2/h3-6,13H,1-2H3,(H,18,20)
InChIKeyIJVRLYQDSPTCKY-UHFFFAOYSA-N
MW331.71 g/mol
LogP2.94
Rot. Bonds5

About 4-chloro-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-5-carboxamide

4-chloro-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-5-carboxamide (PubChem CID 19475965) has the molecular formula C13H12ClF2N3O3 and a molecular weight of 331.71 g/mol. Its IUPAC name is 4-chloro-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-5-carboxamide
PubChem CID19475965
Molecular FormulaC13H12ClF2N3O3
Molecular Weight331.71 g/mol
Exact Mass331.05
IUPAC Name4-chloro-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2c(Cl)cnn2C)ccc1OC(F)F
InChIInChI=1S/C13H12ClF2N3O3/c1-19-11(8(14)6-17-19)12(20)18-7-3-4-9(22-13(15)16)10(5-7)21-2/h3-6,13H,1-2H3,(H,18,20)
InChIKeyIJVRLYQDSPTCKY-UHFFFAOYSA-N
XLogP2.94
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.71
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide
CID 19554010
4-amino-N-(4-chloro-3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 107620644
4-chloro-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 6465441
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea
CID 1297847
4-chloro-N-(3-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 6467156
N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide
CID 4865288
4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 2164180
4-bromo-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-3-carboxamide
CID 19262883
N-[3-chloro-4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 26901420
4-chloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide
CID 5410779
4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-1-methylpyrazole-5-carboxamide
CID 131940972
N-[4-(difluoromethoxy)-3-methoxyphenyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19266603

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-5-carboxamide (CID 19475965) is 4-chloro-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-5-carboxamide is COc1cc(NC(=O)c2c(Cl)cnn2C)ccc1OC(F)F.
What is the InChIKey of 4-chloro-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is IJVRLYQDSPTCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF2N3O3/c1-19-11(8(14)6-17-19)12(20)18-7-3-4-9(22-13(15)16)10(5-7)21-2/h3-6,13H,1-2H3,(H,18,20).
What are the key properties of 4-chloro-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-5-carboxamide?
4-chloro-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 331.71 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 19475965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).