N-[4-(4-chloropyrazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide

C15H12ClN3OS — CID 39853112

IUPACN-[4-(4-chloropyrazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)s1
InChIInChI=1S/C15H12ClN3OS/c1-10-2-7-14(21-10)15(20)18-12-3-5-13(6-4-12)19-9-11(16)8-17-19/h2-9H,1H3,(H,18,20)
InChIKeyMQCMAXORBPUKLH-UHFFFAOYSA-N
MW317.80 g/mol
LogP4.15
Rot. Bonds3

About N-[4-(4-chloropyrazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide

N-[4-(4-chloropyrazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide (PubChem CID 39853112) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is N-[4-(4-chloropyrazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chloropyrazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide
PubChem CID39853112
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC NameN-[4-(4-chloropyrazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)s1
InChIInChI=1S/C15H12ClN3OS/c1-10-2-7-14(21-10)15(20)18-12-3-5-13(6-4-12)19-9-11(16)8-17-19/h2-9H,1H3,(H,18,20)
InChIKeyMQCMAXORBPUKLH-UHFFFAOYSA-N
XLogP4.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-chloropyrazol-1-yl)phenyl]-3-phenylurea
CID 35521242
N-(4-imidazol-1-ylphenyl)-5-methylthiophene-2-carboxamide
CID 37239302
N-[4-(4-chloropyrazol-1-yl)phenyl]-3-methoxybenzamide
CID 35761483
N-(4-aminophenyl)-5-methylthiophene-2-carboxamide
CID 22612974
5-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 8961115
5-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 52555639
N-(3-chlorophenyl)-5-methylthiophene-2-carboxamide
CID 4810608
N-[4-(4-chloropyrazol-1-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 35533333
5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 52553185
5-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 35277254
N-(4-ethylphenyl)-5-methylthiophene-2-carboxamide
CID 42992010
N-(3-chloro-4-hydroxyphenyl)-5-methylthiophene-2-carboxamide
CID 63935507

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloropyrazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[4-(4-chloropyrazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide (CID 39853112) is N-[4-(4-chloropyrazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-(4-chloropyrazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[4-(4-chloropyrazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)s1.
What is the InChIKey of N-[4-(4-chloropyrazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide?
The InChIKey is MQCMAXORBPUKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c1-10-2-7-14(21-10)15(20)18-12-3-5-13(6-4-12)19-9-11(16)8-17-19/h2-9H,1H3,(H,18,20).
What are the key properties of N-[4-(4-chloropyrazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide?
N-[4-(4-chloropyrazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide has a molecular weight of 317.80 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloropyrazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 39853112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).