1-(cyclopropylmethyl)-N-(4-hydroxyphenyl)-N-methylpyrazole-4-sulfonamide

C14H17N3O3S — CID 100659456

IUPAC1-(cyclopropylmethyl)-N-(4-hydroxyphenyl)-N-methylpyrazole-4-sulfonamide
SMILESCN(c1ccc(O)cc1)S(=O)(=O)c1cnn(CC2CC2)c1
InChIInChI=1S/C14H17N3O3S/c1-16(12-4-6-13(18)7-5-12)21(19,20)14-8-15-17(10-14)9-11-2-3-11/h4-8,10-11,18H,2-3,9H2,1H3
InChIKeyKZPFUYODOVIHEV-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.82
Rot. Bonds5

About 1-(cyclopropylmethyl)-N-(4-hydroxyphenyl)-N-methylpyrazole-4-sulfonamide

1-(cyclopropylmethyl)-N-(4-hydroxyphenyl)-N-methylpyrazole-4-sulfonamide (PubChem CID 100659456) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-(4-hydroxyphenyl)-N-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-(4-hydroxyphenyl)-N-methylpyrazole-4-sulfonamide
PubChem CID100659456
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name1-(cyclopropylmethyl)-N-(4-hydroxyphenyl)-N-methylpyrazole-4-sulfonamide
SMILESCN(c1ccc(O)cc1)S(=O)(=O)c1cnn(CC2CC2)c1
InChIInChI=1S/C14H17N3O3S/c1-16(12-4-6-13(18)7-5-12)21(19,20)14-8-15-17(10-14)9-11-2-3-11/h4-8,10-11,18H,2-3,9H2,1H3
InChIKeyKZPFUYODOVIHEV-UHFFFAOYSA-N
XLogP1.82
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-(4-hydroxyphenyl)-N-methylpyrazole-4-sulfonamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-(4-hydroxyphenyl)-N-methylpyrazole-4-sulfonamide (CID 100659456) is 1-(cyclopropylmethyl)-N-(4-hydroxyphenyl)-N-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-(4-hydroxyphenyl)-N-methylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-(4-hydroxyphenyl)-N-methylpyrazole-4-sulfonamide is CN(c1ccc(O)cc1)S(=O)(=O)c1cnn(CC2CC2)c1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-(4-hydroxyphenyl)-N-methylpyrazole-4-sulfonamide?
The InChIKey is KZPFUYODOVIHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-16(12-4-6-13(18)7-5-12)21(19,20)14-8-15-17(10-14)9-11-2-3-11/h4-8,10-11,18H,2-3,9H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-N-(4-hydroxyphenyl)-N-methylpyrazole-4-sulfonamide?
1-(cyclopropylmethyl)-N-(4-hydroxyphenyl)-N-methylpyrazole-4-sulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-(4-hydroxyphenyl)-N-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 100659456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).