1-[(4-chloro-1-ethylpyrazole-3-carbonyl)amino]-3-cyclopropylthiourea

C10H14ClN5OS — CID 4774902

IUPAC1-[(4-chloro-1-ethylpyrazole-3-carbonyl)amino]-3-cyclopropylthiourea
SMILESCCn1cc(Cl)c(C(=O)NNC(=S)NC2CC2)n1
InChIInChI=1S/C10H14ClN5OS/c1-2-16-5-7(11)8(15-16)9(17)13-14-10(18)12-6-3-4-6/h5-6H,2-4H2,1H3,(H,13,17)(H2,12,14,18)
InChIKeyCKONWGFVBBGTGB-UHFFFAOYSA-N
MW287.78 g/mol
LogP0.83
Rot. Bonds3

About 1-[(4-chloro-1-ethylpyrazole-3-carbonyl)amino]-3-cyclopropylthiourea

1-[(4-chloro-1-ethylpyrazole-3-carbonyl)amino]-3-cyclopropylthiourea (PubChem CID 4774902) has the molecular formula C10H14ClN5OS and a molecular weight of 287.78 g/mol. Its IUPAC name is 1-[(4-chloro-1-ethylpyrazole-3-carbonyl)amino]-3-cyclopropylthiourea.

Molecular Properties

Compound Name1-[(4-chloro-1-ethylpyrazole-3-carbonyl)amino]-3-cyclopropylthiourea
PubChem CID4774902
Molecular FormulaC10H14ClN5OS
Molecular Weight287.78 g/mol
Exact Mass287.06
IUPAC Name1-[(4-chloro-1-ethylpyrazole-3-carbonyl)amino]-3-cyclopropylthiourea
SMILESCCn1cc(Cl)c(C(=O)NNC(=S)NC2CC2)n1
InChIInChI=1S/C10H14ClN5OS/c1-2-16-5-7(11)8(15-16)9(17)13-14-10(18)12-6-3-4-6/h5-6H,2-4H2,1H3,(H,13,17)(H2,12,14,18)
InChIKeyCKONWGFVBBGTGB-UHFFFAOYSA-N
XLogP0.83
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.78
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]-N-cyclohexylhydrazinecarbothioamide
CID 842992
N-butyl-2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]hydrazinecarbothioamide
CID 1767260
2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]-N-isobutylhydrazinecarbothioamide
CID 4684945
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
2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]-N-methylhydrazinecarbothioamide
CID 1233747
2-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-cyclopropylhydrazinecarbothioamide
CID 4769340
2-[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]-N-cyclopropylhydrazinecarbothioamide
CID 4769348
2-[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-cyclopropylhydrazinecarbothioamide
CID 4769445
N-cyclopropyl-2-[(1-methyl-1H-pyrazol-5-yl)carbonyl]hydrazinecarbothioamide
CID 4769964
N-cyclopropyl-2-[(1-methyl-1H-pyrazol-3-yl)carbonyl]hydrazinecarbothioamide
CID 4770091

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1-ethylpyrazole-3-carbonyl)amino]-3-cyclopropylthiourea?
The IUPAC name of 1-[(4-chloro-1-ethylpyrazole-3-carbonyl)amino]-3-cyclopropylthiourea (CID 4774902) is 1-[(4-chloro-1-ethylpyrazole-3-carbonyl)amino]-3-cyclopropylthiourea.
What is the SMILES notation for 1-[(4-chloro-1-ethylpyrazole-3-carbonyl)amino]-3-cyclopropylthiourea?
The canonical SMILES for 1-[(4-chloro-1-ethylpyrazole-3-carbonyl)amino]-3-cyclopropylthiourea is CCn1cc(Cl)c(C(=O)NNC(=S)NC2CC2)n1.
What is the InChIKey of 1-[(4-chloro-1-ethylpyrazole-3-carbonyl)amino]-3-cyclopropylthiourea?
The InChIKey is CKONWGFVBBGTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5OS/c1-2-16-5-7(11)8(15-16)9(17)13-14-10(18)12-6-3-4-6/h5-6H,2-4H2,1H3,(H,13,17)(H2,12,14,18).
What are the key properties of 1-[(4-chloro-1-ethylpyrazole-3-carbonyl)amino]-3-cyclopropylthiourea?
1-[(4-chloro-1-ethylpyrazole-3-carbonyl)amino]-3-cyclopropylthiourea has a molecular weight of 287.78 g/mol, XLogP of 0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-1-ethylpyrazole-3-carbonyl)amino]-3-cyclopropylthiourea is sourced from PubChem (CID 4774902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).