5-[(cyclopropylmethylamino)methyl]-1-methylpyrazole-3-sulfonamide

C9H16N4O2S — CID 170994493

IUPAC5-[(cyclopropylmethylamino)methyl]-1-methylpyrazole-3-sulfonamide
SMILESCn1nc(S(N)(=O)=O)cc1CNCC1CC1
InChIInChI=1S/C9H16N4O2S/c1-13-8(6-11-5-7-2-3-7)4-9(12-13)16(10,14)15/h4,7,11H,2-3,5-6H2,1H3,(H2,10,14,15)
InChIKeyAHSDZTHYINTLEW-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.43
Rot. Bonds5

About 5-[(cyclopropylmethylamino)methyl]-1-methylpyrazole-3-sulfonamide

5-[(cyclopropylmethylamino)methyl]-1-methylpyrazole-3-sulfonamide (PubChem CID 170994493) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 5-[(cyclopropylmethylamino)methyl]-1-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylmethylamino)methyl]-1-methylpyrazole-3-sulfonamide
PubChem CID170994493
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name5-[(cyclopropylmethylamino)methyl]-1-methylpyrazole-3-sulfonamide
SMILESCn1nc(S(N)(=O)=O)cc1CNCC1CC1
InChIInChI=1S/C9H16N4O2S/c1-13-8(6-11-5-7-2-3-7)4-9(12-13)16(10,14)15/h4,7,11H,2-3,5-6H2,1H3,(H2,10,14,15)
InChIKeyAHSDZTHYINTLEW-UHFFFAOYSA-N
XLogP-0.43
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylmethylamino)methyl]-1-methylpyrazole-3-sulfonamide?
The IUPAC name of 5-[(cyclopropylmethylamino)methyl]-1-methylpyrazole-3-sulfonamide (CID 170994493) is 5-[(cyclopropylmethylamino)methyl]-1-methylpyrazole-3-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylmethylamino)methyl]-1-methylpyrazole-3-sulfonamide?
The canonical SMILES for 5-[(cyclopropylmethylamino)methyl]-1-methylpyrazole-3-sulfonamide is Cn1nc(S(N)(=O)=O)cc1CNCC1CC1.
What is the InChIKey of 5-[(cyclopropylmethylamino)methyl]-1-methylpyrazole-3-sulfonamide?
The InChIKey is AHSDZTHYINTLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-13-8(6-11-5-7-2-3-7)4-9(12-13)16(10,14)15/h4,7,11H,2-3,5-6H2,1H3,(H2,10,14,15).
What are the key properties of 5-[(cyclopropylmethylamino)methyl]-1-methylpyrazole-3-sulfonamide?
5-[(cyclopropylmethylamino)methyl]-1-methylpyrazole-3-sulfonamide has a molecular weight of 244.32 g/mol, XLogP of -0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylmethylamino)methyl]-1-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 170994493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).