N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide

C20H18N4OS — CID 56931046

IUPACN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)C3=NNCC3c3ccccc3)n2)cc1
InChIInChI=1S/C20H18N4OS/c1-13-7-9-15(10-8-13)17-12-26-20(22-17)23-19(25)18-16(11-21-24-18)14-5-3-2-4-6-14/h2-10,12,16,21H,11H2,1H3,(H,22,23,25)
InChIKeyBMIQQEHZBOOPJB-UHFFFAOYSA-N
MW362.46 g/mol
LogP3.80
Rot. Bonds4

About N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide (PubChem CID 56931046) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide
PubChem CID56931046
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)C3=NNCC3c3ccccc3)n2)cc1
InChIInChI=1S/C20H18N4OS/c1-13-7-9-15(10-8-13)17-12-26-20(22-17)23-19(25)18-16(11-21-24-18)14-5-3-2-4-6-14/h2-10,12,16,21H,11H2,1H3,(H,22,23,25)
InChIKeyBMIQQEHZBOOPJB-UHFFFAOYSA-N
XLogP3.80
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 5015586
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 16619036
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide
CID 56930773
ethane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 153338927
3-bromo-2-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 23854360
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide
CID 40672202
trans-(1S,2S)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 2449771
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
(4S)-3-(4-methylphenyl)-4-phenyl-4,5-dihydro-1H-pyrazole
CID 70317013
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87405721
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 4551012
(1S,6S)-6-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1221076

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide (CID 56931046) is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide is Cc1ccc(-c2csc(NC(=O)C3=NNCC3c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide?
The InChIKey is BMIQQEHZBOOPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-13-7-9-15(10-8-13)17-12-26-20(22-17)23-19(25)18-16(11-21-24-18)14-5-3-2-4-6-14/h2-10,12,16,21H,11H2,1H3,(H,22,23,25).
What are the key properties of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide?
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56931046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).