N-[(5-tert-butyl-1H-pyrazol-3-yl)carbamothioyl]benzamide

C15H18N4OS — CID 2818945

IUPACN-[(5-tert-butyl-1H-pyrazol-3-yl)carbamothioyl]benzamide
SMILESCC(C)(C)c1cc(NC(=S)NC(=O)c2ccccc2)n[nH]1
InChIInChI=1S/C15H18N4OS/c1-15(2,3)11-9-12(19-18-11)16-14(21)17-13(20)10-7-5-4-6-8-10/h4-9H,1-3H3,(H3,16,17,18,19,20,21)
InChIKeyOIYYBMUWZWSZAZ-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.83
Rot. Bonds2

About N-[(5-tert-butyl-1H-pyrazol-3-yl)carbamothioyl]benzamide

N-[(5-tert-butyl-1H-pyrazol-3-yl)carbamothioyl]benzamide (PubChem CID 2818945) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[(5-tert-butyl-1H-pyrazol-3-yl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(5-tert-butyl-1H-pyrazol-3-yl)carbamothioyl]benzamide
PubChem CID2818945
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-[(5-tert-butyl-1H-pyrazol-3-yl)carbamothioyl]benzamide
SMILESCC(C)(C)c1cc(NC(=S)NC(=O)c2ccccc2)n[nH]1
InChIInChI=1S/C15H18N4OS/c1-15(2,3)11-9-12(19-18-11)16-14(21)17-13(20)10-7-5-4-6-8-10/h4-9H,1-3H3,(H3,16,17,18,19,20,21)
InChIKeyOIYYBMUWZWSZAZ-UHFFFAOYSA-N
XLogP2.83
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)Benzamide
CID 449088
N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)benzene-1,4-Dicarboxamide
CID 5330977
N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzamide
CID 5330981
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide
CID 5330998
4-{[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]methyl}benzamide
CID 5330999
N1-(3-phenyl-1H-pyrazol-5-yl)-2-fluorobenzamide
CID 339733
N1-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 339735
(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpropanamide
CID 5330946
3-Benzamidoaminopyrazole deriv. 23
CID 5330991
3-Benzamidoaminopyrazole deriv. 24
CID 5330992
Benzamide, N-(5-methyl-1H-pyrazol-3-yl)-
CID 4247366
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-oxo-2-phenylacetamide
CID 5330945

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1H-pyrazol-3-yl)carbamothioyl]benzamide?
The IUPAC name of N-[(5-tert-butyl-1H-pyrazol-3-yl)carbamothioyl]benzamide (CID 2818945) is N-[(5-tert-butyl-1H-pyrazol-3-yl)carbamothioyl]benzamide.
What is the SMILES notation for N-[(5-tert-butyl-1H-pyrazol-3-yl)carbamothioyl]benzamide?
The canonical SMILES for N-[(5-tert-butyl-1H-pyrazol-3-yl)carbamothioyl]benzamide is CC(C)(C)c1cc(NC(=S)NC(=O)c2ccccc2)n[nH]1.
What is the InChIKey of N-[(5-tert-butyl-1H-pyrazol-3-yl)carbamothioyl]benzamide?
The InChIKey is OIYYBMUWZWSZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-15(2,3)11-9-12(19-18-11)16-14(21)17-13(20)10-7-5-4-6-8-10/h4-9H,1-3H3,(H3,16,17,18,19,20,21).
What are the key properties of N-[(5-tert-butyl-1H-pyrazol-3-yl)carbamothioyl]benzamide?
N-[(5-tert-butyl-1H-pyrazol-3-yl)carbamothioyl]benzamide has a molecular weight of 302.40 g/mol, XLogP of 2.83, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1H-pyrazol-3-yl)carbamothioyl]benzamide is sourced from PubChem (CID 2818945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).