N-cyclopropyl-1-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrazole-4-sulfonamide

C13H18N4O2S — CID 73167954

IUPACN-cyclopropyl-1-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N(Cc2cccn2C)C2CC2)cn1
InChIInChI=1S/C13H18N4O2S/c1-15-7-3-4-12(15)9-17(11-5-6-11)20(18,19)13-8-14-16(2)10-13/h3-4,7-8,10-11H,5-6,9H2,1-2H3
InChIKeyRQAMYNLTNLWBGB-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.11
Rot. Bonds5

About N-cyclopropyl-1-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrazole-4-sulfonamide

N-cyclopropyl-1-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 73167954) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-cyclopropyl-1-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-1-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrazole-4-sulfonamide
PubChem CID73167954
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-cyclopropyl-1-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N(Cc2cccn2C)C2CC2)cn1
InChIInChI=1S/C13H18N4O2S/c1-15-7-3-4-12(15)9-17(11-5-6-11)20(18,19)13-8-14-16(2)10-13/h3-4,7-8,10-11H,5-6,9H2,1-2H3
InChIKeyRQAMYNLTNLWBGB-UHFFFAOYSA-N
XLogP1.11
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of N-cyclopropyl-1-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrazole-4-sulfonamide (CID 73167954) is N-cyclopropyl-1-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-cyclopropyl-1-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-cyclopropyl-1-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)N(Cc2cccn2C)C2CC2)cn1.
What is the InChIKey of N-cyclopropyl-1-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is RQAMYNLTNLWBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-15-7-3-4-12(15)9-17(11-5-6-11)20(18,19)13-8-14-16(2)10-13/h3-4,7-8,10-11H,5-6,9H2,1-2H3.
What are the key properties of N-cyclopropyl-1-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrazole-4-sulfonamide?
N-cyclopropyl-1-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 73167954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).