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

C19H17F2N3O3 — CID 40705938

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(-c3ccccc3)n[nH]2)ccc1OC(F)F
InChIInChI=1S/C19H17F2N3O3/c1-26-17-9-12(7-8-16(17)27-19(20)21)11-22-18(25)15-10-14(23-24-15)13-5-3-2-4-6-13/h2-10,19H,11H2,1H3,(H,22,25)(H,23,24)
InChIKeyIVEKYDGRYYCYEU-UHFFFAOYSA-N
MW373.36 g/mol
LogP3.62
Rot. Bonds7

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

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 40705938) has the molecular formula C19H17F2N3O3 and a molecular weight of 373.36 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID40705938
Molecular FormulaC19H17F2N3O3
Molecular Weight373.36 g/mol
Exact Mass373.12
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(-c3ccccc3)n[nH]2)ccc1OC(F)F
InChIInChI=1S/C19H17F2N3O3/c1-26-17-9-12(7-8-16(17)27-19(20)21)11-22-18(25)15-10-14(23-24-15)13-5-3-2-4-6-13/h2-10,19H,11H2,1H3,(H,22,25)(H,23,24)
InChIKeyIVEKYDGRYYCYEU-UHFFFAOYSA-N
XLogP3.62
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 46920479
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 20918258
methyl 5-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]methyl]-2-methoxybenzoate
CID 86930860
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-phenyltriazol-1-yl)acetamide
CID 166220952
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide
CID 40716159
N-[(3,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 118716752
[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 9288266
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 26549786
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514458
N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508924
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 43046574
N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide
CID 31552261

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 40705938) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide is COc1cc(CNC(=O)c2cc(-c3ccccc3)n[nH]2)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is IVEKYDGRYYCYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O3/c1-26-17-9-12(7-8-16(17)27-19(20)21)11-22-18(25)15-10-14(23-24-15)13-5-3-2-4-6-13/h2-10,19H,11H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 373.36 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 40705938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).