N-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide

C20H19F2N3O4 — CID 19509842

IUPACN-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCOc1cc(NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)ccc1OC(F)F
InChIInChI=1S/C20H19F2N3O4/c1-3-28-18-10-13(7-8-17(18)29-20(21)22)23-19(26)16-11-15(24-25-16)12-5-4-6-14(9-12)27-2/h4-11,20H,3H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyITWVSZKAIXZRPB-UHFFFAOYSA-N
MW403.39 g/mol
LogP4.34
Rot. Bonds8

About N-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide

N-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19509842) has the molecular formula C20H19F2N3O4 and a molecular weight of 403.39 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID19509842
Molecular FormulaC20H19F2N3O4
Molecular Weight403.39 g/mol
Exact Mass403.13
IUPAC NameN-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCOc1cc(NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)ccc1OC(F)F
InChIInChI=1S/C20H19F2N3O4/c1-3-28-18-10-13(7-8-17(18)29-20(21)22)23-19(26)16-11-15(24-25-16)12-5-4-6-14(9-12)27-2/h4-11,20H,3H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyITWVSZKAIXZRPB-UHFFFAOYSA-N
XLogP4.34
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508924
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19514297
3-(3-methoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856863
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2,6-difluorobenzamide
CID 17021884
N-[(2,5-dimethoxyphenyl)methylideneamino]-3-(3-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 1185226
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19277262
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19411696
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19514246
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19510356
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514552
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 26586379
N-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509626

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 19509842) is N-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide is CCOc1cc(NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)ccc1OC(F)F.
What is the InChIKey of N-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is ITWVSZKAIXZRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O4/c1-3-28-18-10-13(7-8-17(18)29-20(21)22)23-19(26)16-11-15(24-25-16)12-5-4-6-14(9-12)27-2/h4-11,20H,3H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 403.39 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19509842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).