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

C10H16N6OS — CID 4774810

IUPAC1-[(4-amino-1-ethylpyrazole-3-carbonyl)amino]-3-cyclopropylthiourea
SMILESCCn1cc(N)c(C(=O)NNC(=S)NC2CC2)n1
InChIInChI=1S/C10H16N6OS/c1-2-16-5-7(11)8(15-16)9(17)13-14-10(18)12-6-3-4-6/h5-6H,2-4,11H2,1H3,(H,13,17)(H2,12,14,18)
InChIKeyZEGLVEVTKHWCLR-UHFFFAOYSA-N
MW268.35 g/mol
LogP-0.24
Rot. Bonds3

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

1-[(4-amino-1-ethylpyrazole-3-carbonyl)amino]-3-cyclopropylthiourea (PubChem CID 4774810) has the molecular formula C10H16N6OS and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-[(4-amino-1-ethylpyrazole-3-carbonyl)amino]-3-cyclopropylthiourea.

Molecular Properties

Compound Name1-[(4-amino-1-ethylpyrazole-3-carbonyl)amino]-3-cyclopropylthiourea
PubChem CID4774810
Molecular FormulaC10H16N6OS
Molecular Weight268.35 g/mol
Exact Mass268.11
IUPAC Name1-[(4-amino-1-ethylpyrazole-3-carbonyl)amino]-3-cyclopropylthiourea
SMILESCCn1cc(N)c(C(=O)NNC(=S)NC2CC2)n1
InChIInChI=1S/C10H16N6OS/c1-2-16-5-7(11)8(15-16)9(17)13-14-10(18)12-6-3-4-6/h5-6H,2-4,11H2,1H3,(H,13,17)(H2,12,14,18)
InChIKeyZEGLVEVTKHWCLR-UHFFFAOYSA-N
XLogP-0.24
TPSA97.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

1-ethyl-4-[(N-propylcarbamoyl)amino]pyrazole-3-carboxamide
CID 17380916
N-cyclopropyl-2-{[1-(difluoromethyl)-1H-pyrazol-5-yl]carbonyl}hydrazinecarbothioamide
CID 4769345
1-ethyl-4-({[(3-methoxypropyl)amino]carbonothioyl}amino)-1H-pyrazole-5-carboxamide
CID 2206144
N-cyclopropyl-2-[(1-methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]hydrazinecarbothioamide
CID 9429872
N-cyclopentyl-2-[(1-methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]hydrazinecarbothioamide
CID 19575569
4-amino-1-ethyl-1H-pyrazole-3-carbohydrazide
CID 7017118
1-Methyl-4-(propan-2-ylamino)pyrazole-5-carboxamide
CID 58431024
4-amino-N-cyclopropyl-1-methyl-1H-pyrazole-3-carboxamide
CID 65355251
4-Amino-1-(cyclopropylmethyl)-N-methyl-1H-pyrazole-3-carboxamide
CID 70115686
4-amino-1-methyl-N-[3-(methylamino)propyl]pyrazole-3-carboxamide
CID 122445383
4-Amino-N-methyl-1-propyl-1H-pyrazole-3-carboxamide
CID 132586443
Ethane;1-methyl-4-(methylamino)pyrazole-3-carboxamide
CID 145188633

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-1-ethylpyrazole-3-carbonyl)amino]-3-cyclopropylthiourea?
The IUPAC name of 1-[(4-amino-1-ethylpyrazole-3-carbonyl)amino]-3-cyclopropylthiourea (CID 4774810) is 1-[(4-amino-1-ethylpyrazole-3-carbonyl)amino]-3-cyclopropylthiourea.
What is the SMILES notation for 1-[(4-amino-1-ethylpyrazole-3-carbonyl)amino]-3-cyclopropylthiourea?
The canonical SMILES for 1-[(4-amino-1-ethylpyrazole-3-carbonyl)amino]-3-cyclopropylthiourea is CCn1cc(N)c(C(=O)NNC(=S)NC2CC2)n1.
What is the InChIKey of 1-[(4-amino-1-ethylpyrazole-3-carbonyl)amino]-3-cyclopropylthiourea?
The InChIKey is ZEGLVEVTKHWCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6OS/c1-2-16-5-7(11)8(15-16)9(17)13-14-10(18)12-6-3-4-6/h5-6H,2-4,11H2,1H3,(H,13,17)(H2,12,14,18).
What are the key properties of 1-[(4-amino-1-ethylpyrazole-3-carbonyl)amino]-3-cyclopropylthiourea?
1-[(4-amino-1-ethylpyrazole-3-carbonyl)amino]-3-cyclopropylthiourea has a molecular weight of 268.35 g/mol, XLogP of -0.24, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-1-ethylpyrazole-3-carbonyl)amino]-3-cyclopropylthiourea is sourced from PubChem (CID 4774810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).