N-[(1-benzylpyrazol-4-yl)methyl]-6-tert-butylsulfonylpyridin-3-amine

C20H24N4O2S — CID 133374077

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-6-tert-butylsulfonylpyridin-3-amine
SMILESCC(C)(C)S(=O)(=O)c1ccc(NCc2cnn(Cc3ccccc3)c2)cn1
InChIInChI=1S/C20H24N4O2S/c1-20(2,3)27(25,26)19-10-9-18(13-22-19)21-11-17-12-23-24(15-17)14-16-7-5-4-6-8-16/h4-10,12-13,15,21H,11,14H2,1-3H3
InChIKeyFJNWZGLSASKGPZ-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.51
Rot. Bonds6

About N-[(1-benzylpyrazol-4-yl)methyl]-6-tert-butylsulfonylpyridin-3-amine

N-[(1-benzylpyrazol-4-yl)methyl]-6-tert-butylsulfonylpyridin-3-amine (PubChem CID 133374077) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-6-tert-butylsulfonylpyridin-3-amine.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-6-tert-butylsulfonylpyridin-3-amine
PubChem CID133374077
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-6-tert-butylsulfonylpyridin-3-amine
SMILESCC(C)(C)S(=O)(=O)c1ccc(NCc2cnn(Cc3ccccc3)c2)cn1
InChIInChI=1S/C20H24N4O2S/c1-20(2,3)27(25,26)19-10-9-18(13-22-19)21-11-17-12-23-24(15-17)14-16-7-5-4-6-8-16/h4-10,12-13,15,21H,11,14H2,1-3H3
InChIKeyFJNWZGLSASKGPZ-UHFFFAOYSA-N
XLogP3.51
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-6-tert-butylsulfonylpyridin-3-amine?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-6-tert-butylsulfonylpyridin-3-amine (CID 133374077) is N-[(1-benzylpyrazol-4-yl)methyl]-6-tert-butylsulfonylpyridin-3-amine.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-6-tert-butylsulfonylpyridin-3-amine?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-6-tert-butylsulfonylpyridin-3-amine is CC(C)(C)S(=O)(=O)c1ccc(NCc2cnn(Cc3ccccc3)c2)cn1.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-6-tert-butylsulfonylpyridin-3-amine?
The InChIKey is FJNWZGLSASKGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-20(2,3)27(25,26)19-10-9-18(13-22-19)21-11-17-12-23-24(15-17)14-16-7-5-4-6-8-16/h4-10,12-13,15,21H,11,14H2,1-3H3.
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-6-tert-butylsulfonylpyridin-3-amine?
N-[(1-benzylpyrazol-4-yl)methyl]-6-tert-butylsulfonylpyridin-3-amine has a molecular weight of 384.51 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-6-tert-butylsulfonylpyridin-3-amine is sourced from PubChem (CID 133374077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).