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

C19H17F2N3O4 — CID 19508924

IUPACN-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)F)c(OC)c3)[nH]n2)cc1
InChIInChI=1S/C19H17F2N3O4/c1-26-13-6-3-11(4-7-13)14-10-15(24-23-14)18(25)22-12-5-8-16(28-19(20)21)17(9-12)27-2/h3-10,19H,1-2H3,(H,22,25)(H,23,24)
InChIKeySPVYIIABPLMBFM-UHFFFAOYSA-N
MW389.36 g/mol
LogP3.95
Rot. Bonds7

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

N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19508924) has the molecular formula C19H17F2N3O4 and a molecular weight of 389.36 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID19508924
Molecular FormulaC19H17F2N3O4
Molecular Weight389.36 g/mol
Exact Mass389.12
IUPAC NameN-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)F)c(OC)c3)[nH]n2)cc1
InChIInChI=1S/C19H17F2N3O4/c1-26-13-6-3-11(4-7-13)14-10-15(24-23-14)18(25)22-12-5-8-16(28-19(20)21)17(9-12)27-2/h3-10,19H,1-2H3,(H,22,25)(H,23,24)
InChIKeySPVYIIABPLMBFM-UHFFFAOYSA-N
XLogP3.95
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19514246
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509842
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
3-(4-methoxyphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 19508725
3-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19508730
N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide
CID 4865288
N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 87019112
N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030480
N-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508699
3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 19514374
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 40705938

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 19508924) is N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)F)c(OC)c3)[nH]n2)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is SPVYIIABPLMBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O4/c1-26-13-6-3-11(4-7-13)14-10-15(24-23-14)18(25)22-12-5-8-16(28-19(20)21)17(9-12)27-2/h3-10,19H,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 389.36 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19508924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).