N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine

C16H16FN5 — CID 133405580

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine
SMILESCc1c(CNc2ccc(-c3ccc(F)cc3)nn2)cnn1C
InChIInChI=1S/C16H16FN5/c1-11-13(10-19-22(11)2)9-18-16-8-7-15(20-21-16)12-3-5-14(17)6-4-12/h3-8,10H,9H2,1-2H3,(H,18,21)
InChIKeyKMMCJNFGWDPDFO-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.94
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine (PubChem CID 133405580) has the molecular formula C16H16FN5 and a molecular weight of 297.34 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine
PubChem CID133405580
Molecular FormulaC16H16FN5
Molecular Weight297.34 g/mol
Exact Mass297.14
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine
SMILESCc1c(CNc2ccc(-c3ccc(F)cc3)nn2)cnn1C
InChIInChI=1S/C16H16FN5/c1-11-13(10-19-22(11)2)9-18-16-8-7-15(20-21-16)12-3-5-14(17)6-4-12/h3-8,10H,9H2,1-2H3,(H,18,21)
InChIKeyKMMCJNFGWDPDFO-UHFFFAOYSA-N
XLogP2.94
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 19619060
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline
CID 19619046
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 79578576
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 79578972
6-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
CID 106035379
2-[6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137268792
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-1-phenylmethanamine
CID 71968624
2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazine-2,5-diamine
CID 106040838
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 106049307
4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]aniline
CID 79578438
2,6-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 83076309
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 107234508

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine (CID 133405580) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine is Cc1c(CNc2ccc(-c3ccc(F)cc3)nn2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine?
The InChIKey is KMMCJNFGWDPDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5/c1-11-13(10-19-22(11)2)9-18-16-8-7-15(20-21-16)12-3-5-14(17)6-4-12/h3-8,10H,9H2,1-2H3,(H,18,21).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine has a molecular weight of 297.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine is sourced from PubChem (CID 133405580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).