1-ethyl-4-(3-methoxypropylcarbamothioylamino)pyrazole-5-carboxamide

C11H19N5O2S — CID 2206144

IUPAC1-ethyl-4-(3-methoxypropylcarbamothioylamino)pyrazole-5-carboxamide
SMILESCCn1ncc(NC(=S)NCCCOC)c1C(N)=O
InChIInChI=1S/C11H19N5O2S/c1-3-16-9(10(12)17)8(7-14-16)15-11(19)13-5-4-6-18-2/h7H,3-6H2,1-2H3,(H2,12,17)(H2,13,15,19)
InChIKeyOPQKSRZYODMMDT-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.32
Rot. Bonds7

About 1-ethyl-4-(3-methoxypropylcarbamothioylamino)pyrazole-5-carboxamide

1-ethyl-4-(3-methoxypropylcarbamothioylamino)pyrazole-5-carboxamide (PubChem CID 2206144) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-ethyl-4-(3-methoxypropylcarbamothioylamino)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-(3-methoxypropylcarbamothioylamino)pyrazole-5-carboxamide
PubChem CID2206144
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name1-ethyl-4-(3-methoxypropylcarbamothioylamino)pyrazole-5-carboxamide
SMILESCCn1ncc(NC(=S)NCCCOC)c1C(N)=O
InChIInChI=1S/C11H19N5O2S/c1-3-16-9(10(12)17)8(7-14-16)15-11(19)13-5-4-6-18-2/h7H,3-6H2,1-2H3,(H2,12,17)(H2,13,15,19)
InChIKeyOPQKSRZYODMMDT-UHFFFAOYSA-N
XLogP0.32
TPSA94.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N,1-dimethyl-1H-pyrazole-5-carboxamide
CID 6485370
4-(3-butylureido)-1-ethyl-1H-pyrazole-5-carboxamide
CID 661464
4-amino-N,1-diethyl-1H-pyrazole-5-carboxamide
CID 19620408
4-Amino-2-ethyl-2H-pyrazole-3-carboxylic acid amide
CID 6485417
1-methyl-6-propyl-5-thioxo-5,6-dihydro-1H-pyrazolo[4,3-d]pyrimidin-7(4H)-one
CID 45106007
1-ethyl-4-[(N-propylcarbamoyl)amino]pyrazole-3-carboxamide
CID 17380916
4-[(Cyclohexylamino)carbonylamino]-1-methylpyrazole-3-carboxamide
CID 17383806
4-amino-N-(3-ethoxypropyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 65359294
4-amino-N-[2-(2,2-difluoroethoxy)ethyl]-1-ethylpyrazole-5-carboxamide
CID 105904121
4-Amino-N-(3-methoxypropyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 132586523
CID 132586526
CID 132586526
4-Amino-1-(2,2-difluoroethyl)-N-(3-methoxypropyl)-1H-pyrazole-3-carboxamide
CID 132586555

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-methoxypropylcarbamothioylamino)pyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-4-(3-methoxypropylcarbamothioylamino)pyrazole-5-carboxamide (CID 2206144) is 1-ethyl-4-(3-methoxypropylcarbamothioylamino)pyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-4-(3-methoxypropylcarbamothioylamino)pyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-4-(3-methoxypropylcarbamothioylamino)pyrazole-5-carboxamide is CCn1ncc(NC(=S)NCCCOC)c1C(N)=O.
What is the InChIKey of 1-ethyl-4-(3-methoxypropylcarbamothioylamino)pyrazole-5-carboxamide?
The InChIKey is OPQKSRZYODMMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-3-16-9(10(12)17)8(7-14-16)15-11(19)13-5-4-6-18-2/h7H,3-6H2,1-2H3,(H2,12,17)(H2,13,15,19).
What are the key properties of 1-ethyl-4-(3-methoxypropylcarbamothioylamino)pyrazole-5-carboxamide?
1-ethyl-4-(3-methoxypropylcarbamothioylamino)pyrazole-5-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-methoxypropylcarbamothioylamino)pyrazole-5-carboxamide is sourced from PubChem (CID 2206144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).