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

C17H16BrF2N5O2 — CID 19515638

IUPACN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCN(Cc1c(Br)cnn1C)C(=O)c1cc(-c2ccc(OC(F)F)cc2)n[nH]1
InChIInChI=1S/C17H16BrF2N5O2/c1-24(9-15-12(18)8-21-25(15)2)16(26)14-7-13(22-23-14)10-3-5-11(6-4-10)27-17(19)20/h3-8,17H,9H2,1-2H3,(H,22,23)
InChIKeyGZHAQVIPQLNJPU-UHFFFAOYSA-N
MW440.25 g/mol
LogP3.45
Rot. Bonds6

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

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 19515638) has the molecular formula C17H16BrF2N5O2 and a molecular weight of 440.25 g/mol. Its IUPAC name is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID19515638
Molecular FormulaC17H16BrF2N5O2
Molecular Weight440.25 g/mol
Exact Mass439.05
IUPAC NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCN(Cc1c(Br)cnn1C)C(=O)c1cc(-c2ccc(OC(F)F)cc2)n[nH]1
InChIInChI=1S/C17H16BrF2N5O2/c1-24(9-15-12(18)8-21-25(15)2)16(26)14-7-13(22-23-14)10-3-5-11(6-4-10)27-17(19)20/h3-8,17H,9H2,1-2H3,(H,22,23)
InChIKeyGZHAQVIPQLNJPU-UHFFFAOYSA-N
XLogP3.45
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.25
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(difluoromethoxy)phenyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 19515621
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 19515423
3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 19514374
3-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19515649
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-7-(difluoromethyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19458612
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide
CID 19296446
3-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 19514167
3-[4-(difluoromethoxy)phenyl]-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide
CID 19514379
N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19515538
3-[4-(difluoromethoxy)phenyl]-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514191
3-(4-bromophenyl)-N-methyl-N-(2-methylbutyl)-1H-pyrazole-5-carboxamide
CID 86936191
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]-N-methylthiophene-2-carboxamide
CID 19502981

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide (CID 19515638) is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide is CN(Cc1c(Br)cnn1C)C(=O)c1cc(-c2ccc(OC(F)F)cc2)n[nH]1.
What is the InChIKey of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is GZHAQVIPQLNJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF2N5O2/c1-24(9-15-12(18)8-21-25(15)2)16(26)14-7-13(22-23-14)10-3-5-11(6-4-10)27-17(19)20/h3-8,17H,9H2,1-2H3,(H,22,23).
What are the key properties of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide?
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 440.25 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19515638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).