N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C23H18ClN5OS — CID 29096778

IUPACN-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccn(Cc4ccccc4Cl)n3)cc12
InChIInChI=1S/C23H18ClN5OS/c1-15-18-13-20(31-23(18)29(26-15)17-8-3-2-4-9-17)22(30)25-21-11-12-28(27-21)14-16-7-5-6-10-19(16)24/h2-13H,14H2,1H3,(H,25,27,30)
InChIKeyRUCNBHPIRLZJNG-UHFFFAOYSA-N
MW447.95 g/mol
LogP5.55
Rot. Bonds5

About N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 29096778) has the molecular formula C23H18ClN5OS and a molecular weight of 447.95 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID29096778
Molecular FormulaC23H18ClN5OS
Molecular Weight447.95 g/mol
Exact Mass447.09
IUPAC NameN-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccn(Cc4ccccc4Cl)n3)cc12
InChIInChI=1S/C23H18ClN5OS/c1-15-18-13-20(31-23(18)29(26-15)17-8-3-2-4-9-17)22(30)25-21-11-12-28(27-21)14-16-7-5-6-10-19(16)24/h2-13H,14H2,1H3,(H,25,27,30)
InChIKeyRUCNBHPIRLZJNG-UHFFFAOYSA-N
XLogP5.55
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.95
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
1-[(2-chlorophenyl)methyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 26908985
3-methyl-N-[4-(methylcarbamoylamino)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 46540625
2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 66819117
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19285346
N-(2-ethylphenyl)-3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 2006111
N-[(2-fluorophenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 9107251
3-methyl-N-[7-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 3134145
N-(2-amino-2-methylpropyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 119626981
1-[(2-chlorophenyl)methyl]-N-(2-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 26584624
3-methyl-1-phenyl-N-(3-pyrazol-1-ylpropyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 37394030
N-[5-[(4-chlorophenyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 1468170

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 29096778) is N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccn(Cc4ccccc4Cl)n3)cc12.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is RUCNBHPIRLZJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5OS/c1-15-18-13-20(31-23(18)29(26-15)17-8-3-2-4-9-17)22(30)25-21-11-12-28(27-21)14-16-7-5-6-10-19(16)24/h2-13H,14H2,1H3,(H,25,27,30).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 447.95 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 29096778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).