1-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]thiourea

C9H13N5OS — CID 4770091

IUPAC1-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]thiourea
SMILESCn1ccc(C(=O)NNC(=S)NC2CC2)n1
InChIInChI=1S/C9H13N5OS/c1-14-5-4-7(13-14)8(15)11-12-9(16)10-6-2-3-6/h4-6H,2-3H2,1H3,(H,11,15)(H2,10,12,16)
InChIKeyGEMSVAUUSZQVHP-UHFFFAOYSA-N
MW239.30 g/mol
LogP-0.31
Rot. Bonds2

About 1-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]thiourea

1-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]thiourea (PubChem CID 4770091) has the molecular formula C9H13N5OS and a molecular weight of 239.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]thiourea
PubChem CID4770091
Molecular FormulaC9H13N5OS
Molecular Weight239.30 g/mol
Exact Mass239.08
IUPAC Name1-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]thiourea
SMILESCn1ccc(C(=O)NNC(=S)NC2CC2)n1
InChIInChI=1S/C9H13N5OS/c1-14-5-4-7(13-14)8(15)11-12-9(16)10-6-2-3-6/h4-6H,2-3H2,1H3,(H,11,15)(H2,10,12,16)
InChIKeyGEMSVAUUSZQVHP-UHFFFAOYSA-N
XLogP-0.31
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 5-0.31
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

N-butyl-2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]hydrazinecarbothioamide
CID 1767260
N-methyl-2-[(3-methyl-1H-pyrazol-1-yl)acetyl]hydrazinecarbothioamide
CID 1231820
1-methyl-1H-pyrazole-3-carbohydrazide
CID 955611
N-cyclopropyl-2-{[1-(difluoromethyl)-1H-pyrazol-5-yl]carbonyl}hydrazinecarbothioamide
CID 4769345
2-{[1-(difluoromethyl)-1H-pyrazol-5-yl]carbonyl}-N-(1,3-dimethyl-1H-pyrazol-4-yl)hydrazinecarbothioamide
CID 4862658
1-methyl-N-[(4-morpholinylamino)carbonothioyl]-1H-pyrazole-3-carboxamide
CID 869157
1-[(4-Chloro-1-methylpyrazole-3-carbonyl)amino]-3-ethylthiourea
CID 1767002
1-[(1,5-Dimethylpyrazole-3-carbonyl)amino]-3-ethylthiourea
CID 1767213
1-Butyl-3-[(1,5-dimethylpyrazole-3-carbonyl)amino]thiourea
CID 4142595
1-[(1-Methylpyrazole-3-carbonyl)amino]-3-(oxolan-2-ylmethyl)thiourea
CID 4766346
N-Cyclopropyl-1-ethyl-1H-pyrazole-3-carboxamide
CID 19262184
1-ethyl-1H-pyrazole-3-carbohydrazide
CID 19616932

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]thiourea?
The IUPAC name of 1-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]thiourea (CID 4770091) is 1-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]thiourea.
What is the SMILES notation for 1-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]thiourea?
The canonical SMILES for 1-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]thiourea is Cn1ccc(C(=O)NNC(=S)NC2CC2)n1.
What is the InChIKey of 1-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]thiourea?
The InChIKey is GEMSVAUUSZQVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS/c1-14-5-4-7(13-14)8(15)11-12-9(16)10-6-2-3-6/h4-6H,2-3H2,1H3,(H,11,15)(H2,10,12,16).
What are the key properties of 1-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]thiourea?
1-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]thiourea has a molecular weight of 239.30 g/mol, XLogP of -0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]thiourea is sourced from PubChem (CID 4770091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).