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

C22H20FN5O — CID 19514551

IUPACN-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCc1cc(C)n(Cc2cccc(NC(=O)c3cc(-c4ccc(F)cc4)n[nH]3)c2)n1
InChIInChI=1S/C22H20FN5O/c1-14-10-15(2)28(27-14)13-16-4-3-5-19(11-16)24-22(29)21-12-20(25-26-21)17-6-8-18(23)9-7-17/h3-12H,13H2,1-2H3,(H,24,29)(H,25,26)
InChIKeyUBQVDNGTKGZFKI-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.33
Rot. Bonds5

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

N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19514551) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID19514551
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC NameN-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCc1cc(C)n(Cc2cccc(NC(=O)c3cc(-c4ccc(F)cc4)n[nH]3)c2)n1
InChIInChI=1S/C22H20FN5O/c1-14-10-15(2)28(27-14)13-16-4-3-5-19(11-16)24-22(29)21-12-20(25-26-21)17-6-8-18(23)9-7-17/h3-12H,13H2,1-2H3,(H,24,29)(H,25,26)
InChIKeyUBQVDNGTKGZFKI-UHFFFAOYSA-N
XLogP4.33
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(difluoromethoxy)phenyl]-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide
CID 19514245
N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514546
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 86901460
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19513939
3-(4-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19514563
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19474017
4-bromo-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266221
N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-ethylbutanediamide
CID 146087761
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(2-methylpropylsulfamoyl)benzamide
CID 86901731
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030468
trans-(1S,2S)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 95617250
3-(4-chlorophenyl)-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 46920010

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 19514551) is N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is Cc1cc(C)n(Cc2cccc(NC(=O)c3cc(-c4ccc(F)cc4)n[nH]3)c2)n1.
What is the InChIKey of N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is UBQVDNGTKGZFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-14-10-15(2)28(27-14)13-16-4-3-5-19(11-16)24-22(29)21-12-20(25-26-21)17-6-8-18(23)9-7-17/h3-12H,13H2,1-2H3,(H,24,29)(H,25,26).
What are the key properties of N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19514551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).