4-chloro-1-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-5-carboxamide

C10H14ClN5O2S — CID 19617447

IUPAC4-chloro-1-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)NC(=S)NN1CCOCC1
InChIInChI=1S/C10H14ClN5O2S/c1-15-8(7(11)6-12-15)9(17)13-10(19)14-16-2-4-18-5-3-16/h6H,2-5H2,1H3,(H2,13,14,17,19)
InChIKeyJSAYBFHLTCZOHI-UHFFFAOYSA-N
MW303.78 g/mol
LogP-0.08
Rot. Bonds2

About 4-chloro-1-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-5-carboxamide

4-chloro-1-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-5-carboxamide (PubChem CID 19617447) has the molecular formula C10H14ClN5O2S and a molecular weight of 303.78 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-5-carboxamide
PubChem CID19617447
Molecular FormulaC10H14ClN5O2S
Molecular Weight303.78 g/mol
Exact Mass303.06
IUPAC Name4-chloro-1-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)NC(=S)NN1CCOCC1
InChIInChI=1S/C10H14ClN5O2S/c1-15-8(7(11)6-12-15)9(17)13-10(19)14-16-2-4-18-5-3-16/h6H,2-5H2,1H3,(H2,13,14,17,19)
InChIKeyJSAYBFHLTCZOHI-UHFFFAOYSA-N
XLogP-0.08
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.78
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]hydrazinecarbothioamide
CID 1767260
(4-Chloro-2-methylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 6470292
1-methyl-N-[(4-morpholinylamino)carbonothioyl]-1H-pyrazole-3-carboxamide
CID 869157
4-iodo-1-methyl-N-(morpholin-4-ylcarbamothioyl)-1H-pyrazole-5-carboxamide
CID 1105446
ethyl 4-{[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]carbamothioyl}piperazine-1-carboxylate
CID 1114511
4-chloro-1-methyl-N-(4-methylpiperazine-1-carbothioyl)pyrazole-3-carboxamide
CID 1224900
1-[(4-Chloro-1-methylpyrazole-3-carbonyl)amino]-3-ethylthiourea
CID 1767002
1-[(4-Chloro-1-methylpyrazole-3-carbonyl)amino]-3-(3-ethoxypropyl)thiourea
CID 3392098
4-chloro-1-methyl-N-(morpholine-4-carbothioyl)pyrazole-3-carboxamide
CID 789768
2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]-N-methylhydrazinecarbothioamide
CID 1233747
4-chloro-1-methyl-N-(morpholin-4-yl)-1H-pyrazole-5-carboxamide
CID 4767815
2-[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-cyclopropylhydrazinecarbothioamide
CID 4769445

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-5-carboxamide (CID 19617447) is 4-chloro-1-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)NC(=S)NN1CCOCC1.
What is the InChIKey of 4-chloro-1-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-5-carboxamide?
The InChIKey is JSAYBFHLTCZOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5O2S/c1-15-8(7(11)6-12-15)9(17)13-10(19)14-16-2-4-18-5-3-16/h6H,2-5H2,1H3,(H2,13,14,17,19).
What are the key properties of 4-chloro-1-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-5-carboxamide?
4-chloro-1-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-5-carboxamide has a molecular weight of 303.78 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19617447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).