1-carbamothioyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide

C8H10N4OS — CID 80589522

IUPAC1-carbamothioyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
SMILESNC(=S)C1(C(=O)Nc2cn[nH]c2)CC1
InChIInChI=1S/C8H10N4OS/c9-6(14)8(1-2-8)7(13)12-5-3-10-11-4-5/h3-4H,1-2H2,(H2,9,14)(H,10,11)(H,12,13)
InChIKeyFDVMCSHTXDGVMF-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.41
Rot. Bonds3

About 1-carbamothioyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide

1-carbamothioyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 80589522) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 1-carbamothioyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID80589522
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name1-carbamothioyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
SMILESNC(=S)C1(C(=O)Nc2cn[nH]c2)CC1
InChIInChI=1S/C8H10N4OS/c9-6(14)8(1-2-8)7(13)12-5-3-10-11-4-5/h3-4H,1-2H2,(H2,9,14)(H,10,11)(H,12,13)
InChIKeyFDVMCSHTXDGVMF-UHFFFAOYSA-N
XLogP0.41
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.41
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

1-(1H-pyrazol-4-ylcarbamoyl)cycloheptane-1-carboxylic acid
CID 138033225
1-(aminomethyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 80588422
1-carbamothioyl-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 80592502
1-methyl-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide
CID 130688568
3-fluoro-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 131020629
1-carbamothioyl-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 80591867
1-carbamothioyl-N-(3,4,5-trifluorophenyl)cyclopropane-1-carboxamide
CID 80590029
1-carbamothioyl-N-(6-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 80590260
3-methyl-N-(1H-pyrazol-4-yl)piperidine-3-carboxamide;hydrochloride
CID 119944674
1H-pyrazol-4-ylcarbamic acid
CID 66846919
1H-pyrazol-4-ylcarbamic acid
CID 66846920
3-propyl-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63138545

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide (CID 80589522) is 1-carbamothioyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide is NC(=S)C1(C(=O)Nc2cn[nH]c2)CC1.
What is the InChIKey of 1-carbamothioyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is FDVMCSHTXDGVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c9-6(14)8(1-2-8)7(13)12-5-3-10-11-4-5/h3-4H,1-2H2,(H2,9,14)(H,10,11)(H,12,13).
What are the key properties of 1-carbamothioyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?
1-carbamothioyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 210.26 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80589522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).