1-(4-bromophenyl)-5-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-4-carboxamide

C19H15BrN6O — CID 37120145

IUPAC1-(4-bromophenyl)-5-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(-n3cncn3)cc2)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C19H15BrN6O/c1-13-18(10-22-26(13)17-6-2-14(20)3-7-17)19(27)24-15-4-8-16(9-5-15)25-12-21-11-23-25/h2-12H,1H3,(H,24,27)
InChIKeyLNZDCOCOOZGNPI-UHFFFAOYSA-N
MW423.27 g/mol
LogP3.78
Rot. Bonds4

About 1-(4-bromophenyl)-5-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-4-carboxamide

1-(4-bromophenyl)-5-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-4-carboxamide (PubChem CID 37120145) has the molecular formula C19H15BrN6O and a molecular weight of 423.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-4-carboxamide
PubChem CID37120145
Molecular FormulaC19H15BrN6O
Molecular Weight423.27 g/mol
Exact Mass422.05
IUPAC Name1-(4-bromophenyl)-5-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(-n3cncn3)cc2)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C19H15BrN6O/c1-13-18(10-22-26(13)17-6-2-14(20)3-7-17)19(27)24-15-4-8-16(9-5-15)25-12-21-11-23-25/h2-12H,1H3,(H,24,27)
InChIKeyLNZDCOCOOZGNPI-UHFFFAOYSA-N
XLogP3.78
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.27
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
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CID 33325210
1-(4-bromophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-methylpyrazole-4-carboxamide
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CID 46562409
1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-4-carboxamide
CID 32908999
1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-methylpyrazole-4-carboxamide
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[4-(1,2,4-triazol-1-yl)phenyl]carbamic acid
CID 66927702
1-(4-bromophenyl)-N-(2-chlorophenyl)-5-methylpyrazole-4-carboxamide
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N-(1-benzylpyrazol-4-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
CID 55947460
N-(3-bromophenyl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 24629396
1-(4-bromophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-5-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-4-carboxamide (CID 37120145) is 1-(4-bromophenyl)-5-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-5-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-5-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(-n3cncn3)cc2)cnn1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-5-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-4-carboxamide?
The InChIKey is LNZDCOCOOZGNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN6O/c1-13-18(10-22-26(13)17-6-2-14(20)3-7-17)19(27)24-15-4-8-16(9-5-15)25-12-21-11-23-25/h2-12H,1H3,(H,24,27).
What are the key properties of 1-(4-bromophenyl)-5-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-4-carboxamide?
1-(4-bromophenyl)-5-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-4-carboxamide has a molecular weight of 423.27 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 37120145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).