1-(4-bromophenyl)-N-[4-(cyanomethyl)phenyl]-5-methylpyrazole-4-carboxamide

C19H15BrN4O — CID 33325210

IUPAC1-(4-bromophenyl)-N-[4-(cyanomethyl)phenyl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(CC#N)cc2)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C19H15BrN4O/c1-13-18(12-22-24(13)17-8-4-15(20)5-9-17)19(25)23-16-6-2-14(3-7-16)10-11-21/h2-9,12H,10H2,1H3,(H,23,25)
InChIKeyDPSOWIGPBKZVDP-UHFFFAOYSA-N
MW395.26 g/mol
LogP4.26
Rot. Bonds4

About 1-(4-bromophenyl)-N-[4-(cyanomethyl)phenyl]-5-methylpyrazole-4-carboxamide

1-(4-bromophenyl)-N-[4-(cyanomethyl)phenyl]-5-methylpyrazole-4-carboxamide (PubChem CID 33325210) has the molecular formula C19H15BrN4O and a molecular weight of 395.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[4-(cyanomethyl)phenyl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[4-(cyanomethyl)phenyl]-5-methylpyrazole-4-carboxamide
PubChem CID33325210
Molecular FormulaC19H15BrN4O
Molecular Weight395.26 g/mol
Exact Mass394.04
IUPAC Name1-(4-bromophenyl)-N-[4-(cyanomethyl)phenyl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(CC#N)cc2)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C19H15BrN4O/c1-13-18(12-22-24(13)17-8-4-15(20)5-9-17)19(25)23-16-6-2-14(3-7-16)10-11-21/h2-9,12H,10H2,1H3,(H,23,25)
InChIKeyDPSOWIGPBKZVDP-UHFFFAOYSA-N
XLogP4.26
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
1-(4-bromophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-methylpyrazole-4-carboxamide
CID 55658006
1-(4-bromophenyl)-5-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-4-carboxamide
CID 37120145
1-(4-bromophenyl)-5-methyl-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 55892348
1-(4-bromophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide
CID 55544244
1-(4-bromophenyl)-N-(3,4-diethoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 46562409
N-(1-benzylpyrazol-4-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
CID 55947460
1-(4-chlorophenyl)-N-[4-(cyanomethoxy)phenyl]-5-methylpyrazole-4-carboxamide
CID 24629643
1-(4-bromophenyl)-5-methyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 32693366
1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-4-carboxamide
CID 32908999
1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 36704733
1-(4-bromophenyl)-N-(2-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 31777513

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[4-(cyanomethyl)phenyl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[4-(cyanomethyl)phenyl]-5-methylpyrazole-4-carboxamide (CID 33325210) is 1-(4-bromophenyl)-N-[4-(cyanomethyl)phenyl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[4-(cyanomethyl)phenyl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[4-(cyanomethyl)phenyl]-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(CC#N)cc2)cnn1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[4-(cyanomethyl)phenyl]-5-methylpyrazole-4-carboxamide?
The InChIKey is DPSOWIGPBKZVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O/c1-13-18(12-22-24(13)17-8-4-15(20)5-9-17)19(25)23-16-6-2-14(3-7-16)10-11-21/h2-9,12H,10H2,1H3,(H,23,25).
What are the key properties of 1-(4-bromophenyl)-N-[4-(cyanomethyl)phenyl]-5-methylpyrazole-4-carboxamide?
1-(4-bromophenyl)-N-[4-(cyanomethyl)phenyl]-5-methylpyrazole-4-carboxamide has a molecular weight of 395.26 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[4-(cyanomethyl)phenyl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 33325210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).