4-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-1-ethylpyrazol-3-amine

C13H25N5O2S — CID 63168177

IUPAC4-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-1-ethylpyrazol-3-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2cn(CC)nc2N)C1
InChIInChI=1S/C13H25N5O2S/c1-4-16(5-2)11-7-8-18(9-11)21(19,20)12-10-17(6-3)15-13(12)14/h10-11H,4-9H2,1-3H3,(H2,14,15)
InChIKeyDERVCXDWVQLWBW-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.59
Rot. Bonds6

About 4-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-1-ethylpyrazol-3-amine

4-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-1-ethylpyrazol-3-amine (PubChem CID 63168177) has the molecular formula C13H25N5O2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-1-ethylpyrazol-3-amine.

Molecular Properties

Compound Name4-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-1-ethylpyrazol-3-amine
PubChem CID63168177
Molecular FormulaC13H25N5O2S
Molecular Weight315.44 g/mol
Exact Mass315.17
IUPAC Name4-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-1-ethylpyrazol-3-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2cn(CC)nc2N)C1
InChIInChI=1S/C13H25N5O2S/c1-4-16(5-2)11-7-8-18(9-11)21(19,20)12-10-17(6-3)15-13(12)14/h10-11H,4-9H2,1-3H3,(H2,14,15)
InChIKeyDERVCXDWVQLWBW-UHFFFAOYSA-N
XLogP0.59
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-1-ethylpyrazol-3-amine?
The IUPAC name of 4-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-1-ethylpyrazol-3-amine (CID 63168177) is 4-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-1-ethylpyrazol-3-amine.
What is the SMILES notation for 4-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-1-ethylpyrazol-3-amine?
The canonical SMILES for 4-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-1-ethylpyrazol-3-amine is CCN(CC)C1CCN(S(=O)(=O)c2cn(CC)nc2N)C1.
What is the InChIKey of 4-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-1-ethylpyrazol-3-amine?
The InChIKey is DERVCXDWVQLWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2S/c1-4-16(5-2)11-7-8-18(9-11)21(19,20)12-10-17(6-3)15-13(12)14/h10-11H,4-9H2,1-3H3,(H2,14,15).
What are the key properties of 4-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-1-ethylpyrazol-3-amine?
4-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-1-ethylpyrazol-3-amine has a molecular weight of 315.44 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-1-ethylpyrazol-3-amine is sourced from PubChem (CID 63168177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).