6-tert-butylsulfonyl-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-3-amine

C19H22N4O2S — CID 133359933

IUPAC6-tert-butylsulfonyl-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-3-amine
SMILESCC(C)(C)S(=O)(=O)c1ccc(NCc2ccn(-c3ccccc3)n2)cn1
InChIInChI=1S/C19H22N4O2S/c1-19(2,3)26(24,25)18-10-9-15(13-21-18)20-14-16-11-12-23(22-16)17-7-5-4-6-8-17/h4-13,20H,14H2,1-3H3
InChIKeySEQKZKVVCCKJLN-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.45
Rot. Bonds5

About 6-tert-butylsulfonyl-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-3-amine

6-tert-butylsulfonyl-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-3-amine (PubChem CID 133359933) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 6-tert-butylsulfonyl-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-tert-butylsulfonyl-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-3-amine
PubChem CID133359933
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name6-tert-butylsulfonyl-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-3-amine
SMILESCC(C)(C)S(=O)(=O)c1ccc(NCc2ccn(-c3ccccc3)n2)cn1
InChIInChI=1S/C19H22N4O2S/c1-19(2,3)26(24,25)18-10-9-15(13-21-18)20-14-16-11-12-23(22-16)17-7-5-4-6-8-17/h4-13,20H,14H2,1-3H3
InChIKeySEQKZKVVCCKJLN-UHFFFAOYSA-N
XLogP3.45
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfonyl-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-3-amine?
The IUPAC name of 6-tert-butylsulfonyl-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-3-amine (CID 133359933) is 6-tert-butylsulfonyl-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-tert-butylsulfonyl-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-3-amine?
The canonical SMILES for 6-tert-butylsulfonyl-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-3-amine is CC(C)(C)S(=O)(=O)c1ccc(NCc2ccn(-c3ccccc3)n2)cn1.
What is the InChIKey of 6-tert-butylsulfonyl-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-3-amine?
The InChIKey is SEQKZKVVCCKJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-19(2,3)26(24,25)18-10-9-15(13-21-18)20-14-16-11-12-23(22-16)17-7-5-4-6-8-17/h4-13,20H,14H2,1-3H3.
What are the key properties of 6-tert-butylsulfonyl-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-3-amine?
6-tert-butylsulfonyl-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-3-amine has a molecular weight of 370.48 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfonyl-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 133359933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).