N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)-3-propylbenzenesulfonamide

C19H23N5O2S — CID 166351117

IUPACN-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)-3-propylbenzenesulfonamide
SMILESCCCc1cccc(S(=O)(=O)Nc2cc(C(C)C)nn2-c2ncccn2)c1
InChIInChI=1S/C19H23N5O2S/c1-4-7-15-8-5-9-16(12-15)27(25,26)23-18-13-17(14(2)3)22-24(18)19-20-10-6-11-21-19/h5-6,8-14,23H,4,7H2,1-3H3
InChIKeyGJGZHPRNTLQSPB-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.54
Rot. Bonds7

About N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)-3-propylbenzenesulfonamide

N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)-3-propylbenzenesulfonamide (PubChem CID 166351117) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)-3-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)-3-propylbenzenesulfonamide
PubChem CID166351117
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC NameN-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)-3-propylbenzenesulfonamide
SMILESCCCc1cccc(S(=O)(=O)Nc2cc(C(C)C)nn2-c2ncccn2)c1
InChIInChI=1S/C19H23N5O2S/c1-4-7-15-8-5-9-16(12-15)27(25,26)23-18-13-17(14(2)3)22-24(18)19-20-10-6-11-21-19/h5-6,8-14,23H,4,7H2,1-3H3
InChIKeyGJGZHPRNTLQSPB-UHFFFAOYSA-N
XLogP3.54
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-propylphenyl)benzenesulfonamide
CID 71064838
3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)propanamide
CID 119320353
3-(propylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide
CID 106082573
3-[(3-propylphenyl)sulfonylamino]benzoic acid
CID 171621009
3-(2-phenylethyl)-N-propan-2-ylbenzenesulfonamide
CID 91202186
3-propylbenzenesulfonyl fluoride
CID 153373581
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 166351100
1-(3-propylphenyl)sulfonylpyrrolidine
CID 142264878
3-(propylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106082065
3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 75537839
N',N'-dimethyl-3-[(propan-2-ylamino)methyl]benzenesulfonohydrazide
CID 114141820
4-propyl-N-pyridin-2-ylbenzenesulfonamide
CID 3269642

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)-3-propylbenzenesulfonamide?
The IUPAC name of N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)-3-propylbenzenesulfonamide (CID 166351117) is N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)-3-propylbenzenesulfonamide.
What is the SMILES notation for N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)-3-propylbenzenesulfonamide?
The canonical SMILES for N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)-3-propylbenzenesulfonamide is CCCc1cccc(S(=O)(=O)Nc2cc(C(C)C)nn2-c2ncccn2)c1.
What is the InChIKey of N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)-3-propylbenzenesulfonamide?
The InChIKey is GJGZHPRNTLQSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-4-7-15-8-5-9-16(12-15)27(25,26)23-18-13-17(14(2)3)22-24(18)19-20-10-6-11-21-19/h5-6,8-14,23H,4,7H2,1-3H3.
What are the key properties of N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)-3-propylbenzenesulfonamide?
N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)-3-propylbenzenesulfonamide has a molecular weight of 385.49 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)-3-propylbenzenesulfonamide is sourced from PubChem (CID 166351117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).