1-(6-phenylpyridazin-3-yl)-3-propan-2-ylpyrazol-5-amine

C16H17N5 — CID 45275385

IUPAC1-(6-phenylpyridazin-3-yl)-3-propan-2-ylpyrazol-5-amine
SMILESCC(C)c1cc(N)n(-c2ccc(-c3ccccc3)nn2)n1
InChIInChI=1S/C16H17N5/c1-11(2)14-10-15(17)21(20-14)16-9-8-13(18-19-16)12-6-4-3-5-7-12/h3-11H,17H2,1-2H3
InChIKeyXCRNITHWGUYOBK-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.03
Rot. Bonds3

About 1-(6-phenylpyridazin-3-yl)-3-propan-2-ylpyrazol-5-amine

1-(6-phenylpyridazin-3-yl)-3-propan-2-ylpyrazol-5-amine (PubChem CID 45275385) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-(6-phenylpyridazin-3-yl)-3-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-(6-phenylpyridazin-3-yl)-3-propan-2-ylpyrazol-5-amine
PubChem CID45275385
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name1-(6-phenylpyridazin-3-yl)-3-propan-2-ylpyrazol-5-amine
SMILESCC(C)c1cc(N)n(-c2ccc(-c3ccccc3)nn2)n1
InChIInChI=1S/C16H17N5/c1-11(2)14-10-15(17)21(20-14)16-9-8-13(18-19-16)12-6-4-3-5-7-12/h3-11H,17H2,1-2H3
InChIKeyXCRNITHWGUYOBK-UHFFFAOYSA-N
XLogP3.03
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-propan-2-yl-1-pyridazin-3-ylpyrazol-5-amine
CID 103294292
1-(4-bromophenyl)-3-propan-2-ylpyrazol-5-amine
CID 43381361
3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine
CID 43381323
2-phenyl-6-propan-2-ylpyridin-4-amine
CID 155682169
1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-amine
CID 43381271
3-phenyl-1-pyrimidin-4-ylpyrazol-5-amine
CID 79823189
3-[3,5-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)sulfonylpyrazol-1-yl]-6-phenylpyridazine
CID 50845148
3-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine
CID 43381319
3-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 43381303
3-(3-bromophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine
CID 43435972
(5R)-6-methyl-2-(6-phenylpyridazin-3-yl)-2,6-diazabicyclo[3.2.0]heptane
CID 123603793
2-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,3,4-thiadiazole
CID 108772733

Frequently Asked Questions

What is the IUPAC name of 1-(6-phenylpyridazin-3-yl)-3-propan-2-ylpyrazol-5-amine?
The IUPAC name of 1-(6-phenylpyridazin-3-yl)-3-propan-2-ylpyrazol-5-amine (CID 45275385) is 1-(6-phenylpyridazin-3-yl)-3-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 1-(6-phenylpyridazin-3-yl)-3-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 1-(6-phenylpyridazin-3-yl)-3-propan-2-ylpyrazol-5-amine is CC(C)c1cc(N)n(-c2ccc(-c3ccccc3)nn2)n1.
What is the InChIKey of 1-(6-phenylpyridazin-3-yl)-3-propan-2-ylpyrazol-5-amine?
The InChIKey is XCRNITHWGUYOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-11(2)14-10-15(17)21(20-14)16-9-8-13(18-19-16)12-6-4-3-5-7-12/h3-11H,17H2,1-2H3.
What are the key properties of 1-(6-phenylpyridazin-3-yl)-3-propan-2-ylpyrazol-5-amine?
1-(6-phenylpyridazin-3-yl)-3-propan-2-ylpyrazol-5-amine has a molecular weight of 279.35 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenylpyridazin-3-yl)-3-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 45275385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).