N-[(4-methylphenyl)methyl]-3-(pyridine-4-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide

C20H17N5O2S — CID 67402095

IUPACN-[(4-methylphenyl)methyl]-3-(pyridine-4-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2cc3c(NC(=O)c4ccncc4)[nH]nc3s2)cc1
InChIInChI=1S/C20H17N5O2S/c1-12-2-4-13(5-3-12)11-22-19(27)16-10-15-17(24-25-20(15)28-16)23-18(26)14-6-8-21-9-7-14/h2-10H,11H2,1H3,(H,22,27)(H2,23,24,25,26)
InChIKeyXSQBWLDBIIVUAL-UHFFFAOYSA-N
MW391.46 g/mol
LogP3.51
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-3-(pyridine-4-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide

N-[(4-methylphenyl)methyl]-3-(pyridine-4-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide (PubChem CID 67402095) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-(pyridine-4-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-(pyridine-4-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
PubChem CID67402095
Molecular FormulaC20H17N5O2S
Molecular Weight391.46 g/mol
Exact Mass391.11
IUPAC NameN-[(4-methylphenyl)methyl]-3-(pyridine-4-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2cc3c(NC(=O)c4ccncc4)[nH]nc3s2)cc1
InChIInChI=1S/C20H17N5O2S/c1-12-2-4-13(5-3-12)11-22-19(27)16-10-15-17(24-25-20(15)28-16)23-18(26)14-6-8-21-9-7-14/h2-10H,11H2,1H3,(H,22,27)(H2,23,24,25,26)
InChIKeyXSQBWLDBIIVUAL-UHFFFAOYSA-N
XLogP3.51
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67401518
3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(4-methylphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67402006
3-benzamido-N-ethyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399013
3-[(4-tert-butylbenzoyl)amino]-N-(4-methylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399771
N-[(4-chlorophenyl)methyl]-3-(1,3-thiazole-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67398427
3-[[2-(3-chlorophenyl)acetyl]amino]-N-[(4-chlorophenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67400030
N-[(4-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11536859
N-[(2-methylphenyl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399960
4-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047754
N-[(4-methylphenyl)methyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109232496
3-[(4-chlorobenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67401659
N-[3-[[(5-methylthiophene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55904354

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-(pyridine-4-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-(pyridine-4-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide (CID 67402095) is N-[(4-methylphenyl)methyl]-3-(pyridine-4-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-(pyridine-4-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-(pyridine-4-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide is Cc1ccc(CNC(=O)c2cc3c(NC(=O)c4ccncc4)[nH]nc3s2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-(pyridine-4-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The InChIKey is XSQBWLDBIIVUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c1-12-2-4-13(5-3-12)11-22-19(27)16-10-15-17(24-25-20(15)28-16)23-18(26)14-6-8-21-9-7-14/h2-10H,11H2,1H3,(H,22,27)(H2,23,24,25,26).
What are the key properties of N-[(4-methylphenyl)methyl]-3-(pyridine-4-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
N-[(4-methylphenyl)methyl]-3-(pyridine-4-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide has a molecular weight of 391.46 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-3-(pyridine-4-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide is sourced from PubChem (CID 67402095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).