1-cyclopropyl-3-[(1-methyl-4-nitropyrazole-5-carbonyl)amino]thiourea

C9H12N6O3S — CID 9429872

IUPAC1-cyclopropyl-3-[(1-methyl-4-nitropyrazole-5-carbonyl)amino]thiourea
SMILESCn1ncc([N+](=O)[O-])c1C(=O)NNC(=S)NC1CC1
InChIInChI=1S/C9H12N6O3S/c1-14-7(6(4-10-14)15(17)18)8(16)12-13-9(19)11-5-2-3-5/h4-5H,2-3H2,1H3,(H,12,16)(H2,11,13,19)
InChIKeyMTOVPFRLBADPIO-UHFFFAOYSA-N
MW284.30 g/mol
LogP-0.40
Rot. Bonds3

About 1-cyclopropyl-3-[(1-methyl-4-nitropyrazole-5-carbonyl)amino]thiourea

1-cyclopropyl-3-[(1-methyl-4-nitropyrazole-5-carbonyl)amino]thiourea (PubChem CID 9429872) has the molecular formula C9H12N6O3S and a molecular weight of 284.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(1-methyl-4-nitropyrazole-5-carbonyl)amino]thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(1-methyl-4-nitropyrazole-5-carbonyl)amino]thiourea
PubChem CID9429872
Molecular FormulaC9H12N6O3S
Molecular Weight284.30 g/mol
Exact Mass284.07
IUPAC Name1-cyclopropyl-3-[(1-methyl-4-nitropyrazole-5-carbonyl)amino]thiourea
SMILESCn1ncc([N+](=O)[O-])c1C(=O)NNC(=S)NC1CC1
InChIInChI=1S/C9H12N6O3S/c1-14-7(6(4-10-14)15(17)18)8(16)12-13-9(19)11-5-2-3-5/h4-5H,2-3H2,1H3,(H,12,16)(H2,11,13,19)
InChIKeyMTOVPFRLBADPIO-UHFFFAOYSA-N
XLogP-0.40
TPSA114.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-3-[(1-methyl-4-nitropyrazole-5-carbonyl)amino]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-2-[(4-nitro-1H-pyrazol-3-yl)carbonyl]hydrazinecarbothioamide
CID 9429873
1-methyl-4-nitro-1H-pyrazole-5-carbohydrazide
CID 3112955
N-cyclopentyl-2-[(1-methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]hydrazinecarbothioamide
CID 19575569
1-methyl-4-nitro-1H-pyrazole-3-carbohydrazide
CID 3112956
N,1-dimethyl-4-nitro-1H-pyrazole-5-carboxamide
CID 19478540
1-(Cyclopropylmethyl)-N-methyl-4-nitro-1H-pyrazole-5-carboxamide
CID 70098717
N-cyclopropyl-2-[(1-methyl-1H-pyrazol-5-yl)carbonyl]hydrazinecarbothioamide
CID 4769964
2-[(4-amino-1-ethyl-1H-pyrazol-3-yl)carbonyl]-N-cyclopropylhydrazinecarbothioamide
CID 4774810
1-ethyl-4-nitro-1H-pyrazole-3-carbohydrazide
CID 7021008
N-cyclopentyl-2-[2-(3-methyl-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazinecarbothioamide
CID 17374574
N-cyclopropyl-1-ethyl-4-nitropyrazole-3-carboxamide
CID 19262987
N~3~-Cyclopropyl-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
CID 19263863

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(1-methyl-4-nitropyrazole-5-carbonyl)amino]thiourea?
The IUPAC name of 1-cyclopropyl-3-[(1-methyl-4-nitropyrazole-5-carbonyl)amino]thiourea (CID 9429872) is 1-cyclopropyl-3-[(1-methyl-4-nitropyrazole-5-carbonyl)amino]thiourea.
What is the SMILES notation for 1-cyclopropyl-3-[(1-methyl-4-nitropyrazole-5-carbonyl)amino]thiourea?
The canonical SMILES for 1-cyclopropyl-3-[(1-methyl-4-nitropyrazole-5-carbonyl)amino]thiourea is Cn1ncc([N+](=O)[O-])c1C(=O)NNC(=S)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[(1-methyl-4-nitropyrazole-5-carbonyl)amino]thiourea?
The InChIKey is MTOVPFRLBADPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O3S/c1-14-7(6(4-10-14)15(17)18)8(16)12-13-9(19)11-5-2-3-5/h4-5H,2-3H2,1H3,(H,12,16)(H2,11,13,19).
What are the key properties of 1-cyclopropyl-3-[(1-methyl-4-nitropyrazole-5-carbonyl)amino]thiourea?
1-cyclopropyl-3-[(1-methyl-4-nitropyrazole-5-carbonyl)amino]thiourea has a molecular weight of 284.30 g/mol, XLogP of -0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(1-methyl-4-nitropyrazole-5-carbonyl)amino]thiourea is sourced from PubChem (CID 9429872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).