3-(3,5-dimethyl-1-pyridazin-3-ylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine

C16H25N5 — CID 103294582

IUPAC3-(3,5-dimethyl-1-pyridazin-3-ylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCc1nn(-c2cccnn2)c(C)c1CC(C)CNC(C)C
InChIInChI=1S/C16H25N5/c1-11(2)17-10-12(3)9-15-13(4)20-21(14(15)5)16-7-6-8-18-19-16/h6-8,11-12,17H,9-10H2,1-5H3
InChIKeyPRMNLFBDYQOCKH-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.46
Rot. Bonds6

About 3-(3,5-dimethyl-1-pyridazin-3-ylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine

3-(3,5-dimethyl-1-pyridazin-3-ylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 103294582) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1-pyridazin-3-ylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethyl-1-pyridazin-3-ylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID103294582
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name3-(3,5-dimethyl-1-pyridazin-3-ylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCc1nn(-c2cccnn2)c(C)c1CC(C)CNC(C)C
InChIInChI=1S/C16H25N5/c1-11(2)17-10-12(3)9-15-13(4)20-21(14(15)5)16-7-6-8-18-19-16/h6-8,11-12,17H,9-10H2,1-5H3
InChIKeyPRMNLFBDYQOCKH-UHFFFAOYSA-N
XLogP2.46
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 79225074
3-(5-chloro-3-methyl-4-propan-2-ylpyrazol-1-yl)pyridazine
CID 103294464
4,5-dimethyl-2-pyridazin-3-ylpyrazol-3-amine
CID 103294294
N-ethyl-3-[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
CID 79223350
3-[1-(2,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
CID 79225551
3-propan-2-yl-1-pyridazin-3-ylpyrazol-5-amine
CID 103294292
3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
CID 114799027
2-methyl-3-(2-phenylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine
CID 107331259
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 65293588
3-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-N,2-dimethylpropan-1-amine
CID 79224020
3-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-methylpropanoic acid
CID 65295688
3-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
CID 79225724

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1-pyridazin-3-ylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(3,5-dimethyl-1-pyridazin-3-ylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine (CID 103294582) is 3-(3,5-dimethyl-1-pyridazin-3-ylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(3,5-dimethyl-1-pyridazin-3-ylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(3,5-dimethyl-1-pyridazin-3-ylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine is Cc1nn(-c2cccnn2)c(C)c1CC(C)CNC(C)C.
What is the InChIKey of 3-(3,5-dimethyl-1-pyridazin-3-ylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is PRMNLFBDYQOCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-11(2)17-10-12(3)9-15-13(4)20-21(14(15)5)16-7-6-8-18-19-16/h6-8,11-12,17H,9-10H2,1-5H3.
What are the key properties of 3-(3,5-dimethyl-1-pyridazin-3-ylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
3-(3,5-dimethyl-1-pyridazin-3-ylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1-pyridazin-3-ylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 103294582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).