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

C27H21F2N5O2 — CID 19514180

IUPAC3-[4-(difluoromethoxy)phenyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1cc(-c2ccc(OC(F)F)cc2)n[nH]1
InChIInChI=1S/C27H21F2N5O2/c28-27(29)36-22-13-11-18(12-14-22)23-15-24(32-31-23)26(35)30-16-20-17-34(21-9-5-2-6-10-21)33-25(20)19-7-3-1-4-8-19/h1-15,17,27H,16H2,(H,30,35)(H,31,32)
InChIKeyWMOGFMDDOYHAOQ-UHFFFAOYSA-N
MW485.49 g/mol
LogP5.46
Rot. Bonds8

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

3-[4-(difluoromethoxy)phenyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 19514180) has the molecular formula C27H21F2N5O2 and a molecular weight of 485.49 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID19514180
Molecular FormulaC27H21F2N5O2
Molecular Weight485.49 g/mol
Exact Mass485.17
IUPAC Name3-[4-(difluoromethoxy)phenyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1cc(-c2ccc(OC(F)F)cc2)n[nH]1
InChIInChI=1S/C27H21F2N5O2/c28-27(29)36-22-13-11-18(12-14-22)23-15-24(32-31-23)26(35)30-16-20-17-34(21-9-5-2-6-10-21)33-25(20)19-7-3-1-4-8-19/h1-15,17,27H,16H2,(H,30,35)(H,31,32)
InChIKeyWMOGFMDDOYHAOQ-UHFFFAOYSA-N
XLogP5.46
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.49
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19509375
3-(1,3-benzodioxol-5-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19513258
3-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 19514167
3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 19514374
N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-iodo-1H-pyrazole-5-carboxamide
CID 19479833
N-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 17499235
N-(1-benzyl-1,2,4-triazol-3-yl)-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19514316
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 40705938
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 24548750
3-[3-[4-(difluoromethoxy)phenyl]-1-phenylpyrazol-4-yl]prop-2-enoic acid
CID 4155279
N-[(2,4-difluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121084055

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide (CID 19514180) is 3-[4-(difluoromethoxy)phenyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide is O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1cc(-c2ccc(OC(F)F)cc2)n[nH]1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is WMOGFMDDOYHAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2N5O2/c28-27(29)36-22-13-11-18(12-14-22)23-15-24(32-31-23)26(35)30-16-20-17-34(21-9-5-2-6-10-21)33-25(20)19-7-3-1-4-8-19/h1-15,17,27H,16H2,(H,30,35)(H,31,32).
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
3-[4-(difluoromethoxy)phenyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 485.49 g/mol, XLogP of 5.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19514180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).