N-(3-carbamothioylphenyl)-3-pyrazol-1-ylpropanamide

C13H14N4OS — CID 24703120

IUPACN-(3-carbamothioylphenyl)-3-pyrazol-1-ylpropanamide
SMILESNC(=S)c1cccc(NC(=O)CCn2cccn2)c1
InChIInChI=1S/C13H14N4OS/c14-13(19)10-3-1-4-11(9-10)16-12(18)5-8-17-7-2-6-15-17/h1-4,6-7,9H,5,8H2,(H2,14,19)(H,16,18)
InChIKeyHHACNOJPNOUGQJ-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.55
Rot. Bonds5

About N-(3-carbamothioylphenyl)-3-pyrazol-1-ylpropanamide

N-(3-carbamothioylphenyl)-3-pyrazol-1-ylpropanamide (PubChem CID 24703120) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-3-pyrazol-1-ylpropanamide
PubChem CID24703120
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC NameN-(3-carbamothioylphenyl)-3-pyrazol-1-ylpropanamide
SMILESNC(=S)c1cccc(NC(=O)CCn2cccn2)c1
InChIInChI=1S/C13H14N4OS/c14-13(19)10-3-1-4-11(9-10)16-12(18)5-8-17-7-2-6-15-17/h1-4,6-7,9H,5,8H2,(H2,14,19)(H,16,18)
InChIKeyHHACNOJPNOUGQJ-UHFFFAOYSA-N
XLogP1.55
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.55
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

N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339322
3-pyrazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 46339350
N-(2,3-dimethylquinoxalin-6-yl)-3-pyrazol-1-ylpropanamide
CID 92596027
N-(3-carbamothioylphenyl)-3-methoxypropanamide
CID 24705451
N-(3-carbamothioylphenyl)-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 103356209
N-(3-carbamothioylphenyl)-3-propan-2-yloxypropanamide
CID 24706022
N-(3-carbamothioylphenyl)-4-propoxybutanamide
CID 43248092
2-bromo-5-(3-pyrazol-1-ylpropanoylamino)benzoic acid
CID 115295864
N-(3-carbamothioylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119749
1-[3-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]propyl]pyrazole-4-carboxylic acid
CID 19483026
N-(3-carbamothioylphenyl)-4-(2-oxopyrrolidin-1-yl)butanamide
CID 29298836
N-(3-carbamothioylphenyl)-3,3,3-trifluoropropanamide
CID 24692503

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-(3-carbamothioylphenyl)-3-pyrazol-1-ylpropanamide (CID 24703120) is N-(3-carbamothioylphenyl)-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-3-pyrazol-1-ylpropanamide is NC(=S)c1cccc(NC(=O)CCn2cccn2)c1.
What is the InChIKey of N-(3-carbamothioylphenyl)-3-pyrazol-1-ylpropanamide?
The InChIKey is HHACNOJPNOUGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c14-13(19)10-3-1-4-11(9-10)16-12(18)5-8-17-7-2-6-15-17/h1-4,6-7,9H,5,8H2,(H2,14,19)(H,16,18).
What are the key properties of N-(3-carbamothioylphenyl)-3-pyrazol-1-ylpropanamide?
N-(3-carbamothioylphenyl)-3-pyrazol-1-ylpropanamide has a molecular weight of 274.35 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 24703120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).