N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine

C19H27N7 — CID 133477637

IUPACN-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine
SMILESCc1cc(C)n(-c2ccc(NC(C)c3cn(C(C)(C)C)nc3C)nn2)n1
InChIInChI=1S/C19H27N7/c1-12-10-13(2)26(23-12)18-9-8-17(21-22-18)20-14(3)16-11-25(19(5,6)7)24-15(16)4/h8-11,14H,1-7H3,(H,20,21)
InChIKeySDSPMOFMTLGRTE-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.71
Rot. Bonds4

About N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine

N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine (PubChem CID 133477637) has the molecular formula C19H27N7 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine
PubChem CID133477637
Molecular FormulaC19H27N7
Molecular Weight353.47 g/mol
Exact Mass353.23
IUPAC NameN-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine
SMILESCc1cc(C)n(-c2ccc(NC(C)c3cn(C(C)(C)C)nc3C)nn2)n1
InChIInChI=1S/C19H27N7/c1-12-10-13(2)26(23-12)18-9-8-17(21-22-18)20-14(3)16-11-25(19(5,6)7)24-15(16)4/h8-11,14H,1-7H3,(H,20,21)
InChIKeySDSPMOFMTLGRTE-UHFFFAOYSA-N
XLogP3.71
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine
CID 112818314
6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridazin-3-amine
CID 133350408
(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylbutanoic acid
CID 120964362
6-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-N-ethylpyridine-3-carboxamide
CID 133477615
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-(difluoromethoxy)pyridin-2-amine
CID 133477434
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methoxyphenoxy)propyl]pyridazin-3-amine
CID 133323969
1-tert-butyl-3-methyl-4-propan-2-ylpyrazole
CID 126758593
6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridazin-3-amine
CID 133380129
2-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-N-cyclopropylquinoline-4-carboxamide
CID 133477494
2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-1-(4-phenylphenyl)ethanol
CID 133477233
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-2,4-bis(methylsulfonyl)aniline
CID 133477638
6-(3,5-dimethylpyrazol-1-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridazin-3-amine
CID 133444843

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine?
The IUPAC name of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine (CID 133477637) is N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine.
What is the SMILES notation for N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine?
The canonical SMILES for N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine is Cc1cc(C)n(-c2ccc(NC(C)c3cn(C(C)(C)C)nc3C)nn2)n1.
What is the InChIKey of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine?
The InChIKey is SDSPMOFMTLGRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7/c1-12-10-13(2)26(23-12)18-9-8-17(21-22-18)20-14(3)16-11-25(19(5,6)7)24-15(16)4/h8-11,14H,1-7H3,(H,20,21).
What are the key properties of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine?
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine has a molecular weight of 353.47 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine is sourced from PubChem (CID 133477637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).