1-(4-carbamothioylphenyl)pyrazole-3-carboxamide

C11H10N4OS — CID 64782843

IUPAC1-(4-carbamothioylphenyl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2ccc(C(N)=S)cc2)n1
InChIInChI=1S/C11H10N4OS/c12-10(16)9-5-6-15(14-9)8-3-1-7(2-4-8)11(13)17/h1-6H,(H2,12,16)(H2,13,17)
InChIKeyHNESZWPELAHENS-UHFFFAOYSA-N
MW246.30 g/mol
LogP0.61
Rot. Bonds3

About 1-(4-carbamothioylphenyl)pyrazole-3-carboxamide

1-(4-carbamothioylphenyl)pyrazole-3-carboxamide (PubChem CID 64782843) has the molecular formula C11H10N4OS and a molecular weight of 246.30 g/mol. Its IUPAC name is 1-(4-carbamothioylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-carbamothioylphenyl)pyrazole-3-carboxamide
PubChem CID64782843
Molecular FormulaC11H10N4OS
Molecular Weight246.30 g/mol
Exact Mass246.06
IUPAC Name1-(4-carbamothioylphenyl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2ccc(C(N)=S)cc2)n1
InChIInChI=1S/C11H10N4OS/c12-10(16)9-5-6-15(14-9)8-3-1-7(2-4-8)11(13)17/h1-6H,(H2,12,16)(H2,13,17)
InChIKeyHNESZWPELAHENS-UHFFFAOYSA-N
XLogP0.61
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)pyrazole-3-carboxamide
CID 25247604
1-(4-carbamothioyl-2-fluorophenyl)pyrazole-3-carboxamide
CID 64781527
1-[6-(aminomethyl)-3-pyridinyl]pyrazole-3-carboxamide
CID 115487131
1-[4-(3-fluoropropoxy)phenyl]pyrazole-3-carboxamide
CID 141144470
1-(4-carbamothioylpyridazin-3-yl)pyrazole-3-carboxamide
CID 80511555
1-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 175893602
1-[4-(1,2,2-tricyanoethenylamino)phenyl]pyrazole-3-carboxamide
CID 168608349
1-(3-carbamothioyl-6-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 64782845
1-[4-(aminomethyl)-3-bromophenyl]pyrazole-3-carboxamide
CID 107275115
1-(triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide
CID 175781516
1-[6-(1-aminoethyl)-3-pyridinyl]pyrazole-3-carboxamide
CID 83127909
1-[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 56507280

Frequently Asked Questions

What is the IUPAC name of 1-(4-carbamothioylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-carbamothioylphenyl)pyrazole-3-carboxamide (CID 64782843) is 1-(4-carbamothioylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-carbamothioylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-carbamothioylphenyl)pyrazole-3-carboxamide is NC(=O)c1ccn(-c2ccc(C(N)=S)cc2)n1.
What is the InChIKey of 1-(4-carbamothioylphenyl)pyrazole-3-carboxamide?
The InChIKey is HNESZWPELAHENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS/c12-10(16)9-5-6-15(14-9)8-3-1-7(2-4-8)11(13)17/h1-6H,(H2,12,16)(H2,13,17).
What are the key properties of 1-(4-carbamothioylphenyl)pyrazole-3-carboxamide?
1-(4-carbamothioylphenyl)pyrazole-3-carboxamide has a molecular weight of 246.30 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carbamothioylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 64782843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).