[amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-λ6-sulfanylidene]carbamic acid

C6H9FN4O3S — CID 146571275

IUPAC[amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-λ6-sulfanylidene]carbamic acid
SMILESCCn1ncc(F)c1S(N)(=O)=NC(=O)O
InChIInChI=1S/C6H9FN4O3S/c1-2-11-5(4(7)3-9-11)15(8,14)10-6(12)13/h3H,2H2,1H3,(H,12,13)(H2,8,10,14)
InChIKeyDRNHYRVZXRYEIO-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.42
Rot. Bonds2

About [amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-λ6-sulfanylidene]carbamic acid

[amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-λ6-sulfanylidene]carbamic acid (PubChem CID 146571275) has the molecular formula C6H9FN4O3S and a molecular weight of 236.23 g/mol. Its IUPAC name is [amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-λ6-sulfanylidene]carbamic acid.

Molecular Properties

Compound Name[amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-λ6-sulfanylidene]carbamic acid
PubChem CID146571275
Molecular FormulaC6H9FN4O3S
Molecular Weight236.23 g/mol
Exact Mass236.04
IUPAC Name[amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-λ6-sulfanylidene]carbamic acid
SMILESCCn1ncc(F)c1S(N)(=O)=NC(=O)O
InChIInChI=1S/C6H9FN4O3S/c1-2-11-5(4(7)3-9-11)15(8,14)10-6(12)13/h3H,2H2,1H3,(H,12,13)(H2,8,10,14)
InChIKeyDRNHYRVZXRYEIO-UHFFFAOYSA-N
XLogP0.42
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Ethyl-4-fluoro-pyrazole-3-sulfonamide
CID 146570516
1-Ethyl-4-fluoro-pyrazole-3-sulfonamide
CID 146570546
(1-Ethyl-4-fluoropyrazol-5-yl)sulfinylcarbamic acid
CID 146571399
[Amino-[1-(fluoromethyl)pyrazol-3-yl]-oxo-lambda6-sulfanylidene]carbamic acid
CID 146571414
1-Ethyl-4-fluoropyrazole-5-sulfinamide
CID 146571466
N-[amino-[1-(1-fluoroethyl)-4-methylpyrazol-3-yl]-oxo-lambda6-sulfanylidene]acetamide
CID 146617660
N-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-lambda6-sulfanylidene]acetamide
CID 146617724
N-[amino-[1-(difluoromethyl)-4-fluoropyrazol-3-yl]-oxo-lambda6-sulfanylidene]acetamide
CID 146618305
tert-butyl N-[amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-lambda6-sulfanylidene]carbamate
CID 146618668
3-(Aminosulfonimidoyl)-1-ethyl-4-fluoropyrazole
CID 150170632
1-Ethyl-4-fluoropyrazole-3-sulfinamide
CID 153587858
tert-butyl N-(1-ethyl-4-fluoropyrazol-5-yl)sulfinylcarbamate
CID 153588485

Frequently Asked Questions

What is the IUPAC name of [amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-λ6-sulfanylidene]carbamic acid?
The IUPAC name of [amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-λ6-sulfanylidene]carbamic acid (CID 146571275) is [amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-λ6-sulfanylidene]carbamic acid.
What is the SMILES notation for [amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-λ6-sulfanylidene]carbamic acid?
The canonical SMILES for [amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-λ6-sulfanylidene]carbamic acid is CCn1ncc(F)c1S(N)(=O)=NC(=O)O.
What is the InChIKey of [amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-λ6-sulfanylidene]carbamic acid?
The InChIKey is DRNHYRVZXRYEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN4O3S/c1-2-11-5(4(7)3-9-11)15(8,14)10-6(12)13/h3H,2H2,1H3,(H,12,13)(H2,8,10,14).
What are the key properties of [amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-λ6-sulfanylidene]carbamic acid?
[amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-λ6-sulfanylidene]carbamic acid has a molecular weight of 236.23 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-λ6-sulfanylidene]carbamic acid is sourced from PubChem (CID 146571275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).