1-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide

C13H20N4OS — CID 106035310

IUPAC1-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
SMILESCc1c(CNC(=O)C2(C(N)=S)CCCC2)cnn1C
InChIInChI=1S/C13H20N4OS/c1-9-10(8-16-17(9)2)7-15-12(18)13(11(14)19)5-3-4-6-13/h8H,3-7H2,1-2H3,(H2,14,19)(H,15,18)
InChIKeyMOHHHNDKJOFCFH-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.19
Rot. Bonds4

About 1-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide

1-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 106035310) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 1-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
PubChem CID106035310
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name1-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
SMILESCc1c(CNC(=O)C2(C(N)=S)CCCC2)cnn1C
InChIInChI=1S/C13H20N4OS/c1-9-10(8-16-17(9)2)7-15-12(18)13(11(14)19)5-3-4-6-13/h8H,3-7H2,1-2H3,(H2,14,19)(H,15,18)
InChIKeyMOHHHNDKJOFCFH-UHFFFAOYSA-N
XLogP1.19
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.19
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-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 114140497
tert-butyl 1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]cyclobutane-1-carboxylate
CID 126822697
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide
CID 126816544
(1,5-dimethylpyrazol-4-yl)methylthiourea
CID 106032933
2-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylbutanamide
CID 106035313
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-3-sulfanylidenepropanamide
CID 106035269
1-carbamothioyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cycloheptane-1-carboxamide
CID 62116987
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethylpiperidine-4-carboxamide
CID 106047304
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-methylidenecyclobutane-1-carboxamide
CID 126840448
2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethylurea
CID 83110053
1-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120550042
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydroxyiminopropanamide
CID 106041077

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide (CID 106035310) is 1-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide is Cc1c(CNC(=O)C2(C(N)=S)CCCC2)cnn1C.
What is the InChIKey of 1-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is MOHHHNDKJOFCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-9-10(8-16-17(9)2)7-15-12(18)13(11(14)19)5-3-4-6-13/h8H,3-7H2,1-2H3,(H2,14,19)(H,15,18).
What are the key properties of 1-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide?
1-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 280.40 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 106035310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).