3-methyl-5-N-naphthalen-1-yl-1-propan-2-ylpyrazole-4,5-diamine

C17H20N4 — CID 66029077

IUPAC3-methyl-5-N-naphthalen-1-yl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(Nc2cccc3ccccc23)c1N
InChIInChI=1S/C17H20N4/c1-11(2)21-17(16(18)12(3)20-21)19-15-10-6-8-13-7-4-5-9-14(13)15/h4-11,19H,18H2,1-3H3
InChIKeyAEXIVPBNKARLGP-UHFFFAOYSA-N
MW280.38 g/mol
LogP4.25
Rot. Bonds3

About 3-methyl-5-N-naphthalen-1-yl-1-propan-2-ylpyrazole-4,5-diamine

3-methyl-5-N-naphthalen-1-yl-1-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66029077) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 3-methyl-5-N-naphthalen-1-yl-1-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name3-methyl-5-N-naphthalen-1-yl-1-propan-2-ylpyrazole-4,5-diamine
PubChem CID66029077
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name3-methyl-5-N-naphthalen-1-yl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(Nc2cccc3ccccc23)c1N
InChIInChI=1S/C17H20N4/c1-11(2)21-17(16(18)12(3)20-21)19-15-10-6-8-13-7-4-5-9-14(13)15/h4-11,19H,18H2,1-3H3
InChIKeyAEXIVPBNKARLGP-UHFFFAOYSA-N
XLogP4.25
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-N-naphthalen-1-yl-1-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 3-methyl-5-N-naphthalen-1-yl-1-propan-2-ylpyrazole-4,5-diamine (CID 66029077) is 3-methyl-5-N-naphthalen-1-yl-1-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 3-methyl-5-N-naphthalen-1-yl-1-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 3-methyl-5-N-naphthalen-1-yl-1-propan-2-ylpyrazole-4,5-diamine is Cc1nn(C(C)C)c(Nc2cccc3ccccc23)c1N.
What is the InChIKey of 3-methyl-5-N-naphthalen-1-yl-1-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is AEXIVPBNKARLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-11(2)21-17(16(18)12(3)20-21)19-15-10-6-8-13-7-4-5-9-14(13)15/h4-11,19H,18H2,1-3H3.
What are the key properties of 3-methyl-5-N-naphthalen-1-yl-1-propan-2-ylpyrazole-4,5-diamine?
3-methyl-5-N-naphthalen-1-yl-1-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 280.38 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-N-naphthalen-1-yl-1-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66029077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).