N-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylpyrazole-4-sulfonamide

C14H18N4O2S — CID 62061535

IUPACN-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N(c2ccc(CN)cc2)C2CC2)cn1
InChIInChI=1S/C14H18N4O2S/c1-17-10-14(9-16-17)21(19,20)18(13-6-7-13)12-4-2-11(8-15)3-5-12/h2-5,9-10,13H,6-8,15H2,1H3
InChIKeyGRSIVWZESRNHQH-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.24
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylpyrazole-4-sulfonamide

N-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylpyrazole-4-sulfonamide (PubChem CID 62061535) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylpyrazole-4-sulfonamide
PubChem CID62061535
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N(c2ccc(CN)cc2)C2CC2)cn1
InChIInChI=1S/C14H18N4O2S/c1-17-10-14(9-16-17)21(19,20)18(13-6-7-13)12-4-2-11(8-15)3-5-12/h2-5,9-10,13H,6-8,15H2,1H3
InChIKeyGRSIVWZESRNHQH-UHFFFAOYSA-N
XLogP1.24
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylpyrazole-4-sulfonamide (CID 62061535) is N-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)N(c2ccc(CN)cc2)C2CC2)cn1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylpyrazole-4-sulfonamide?
The InChIKey is GRSIVWZESRNHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-17-10-14(9-16-17)21(19,20)18(13-6-7-13)12-4-2-11(8-15)3-5-12/h2-5,9-10,13H,6-8,15H2,1H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylpyrazole-4-sulfonamide?
N-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylpyrazole-4-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 62061535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).