1-methyl-4-[2-(1-methylazepan-4-yl)phenyl]pyrazol-5-amine

C17H24N4 — CID 117458050

IUPAC1-methyl-4-[2-(1-methylazepan-4-yl)phenyl]pyrazol-5-amine
SMILESCN1CCCC(c2ccccc2-c2cnn(C)c2N)CC1
InChIInChI=1S/C17H24N4/c1-20-10-5-6-13(9-11-20)14-7-3-4-8-15(14)16-12-19-21(2)17(16)18/h3-4,7-8,12-13H,5-6,9-11,18H2,1-2H3
InChIKeyUSKONIWFKHEIDL-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.87
Rot. Bonds2

About 1-methyl-4-[2-(1-methylazepan-4-yl)phenyl]pyrazol-5-amine

1-methyl-4-[2-(1-methylazepan-4-yl)phenyl]pyrazol-5-amine (PubChem CID 117458050) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-methyl-4-[2-(1-methylazepan-4-yl)phenyl]pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-[2-(1-methylazepan-4-yl)phenyl]pyrazol-5-amine
PubChem CID117458050
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name1-methyl-4-[2-(1-methylazepan-4-yl)phenyl]pyrazol-5-amine
SMILESCN1CCCC(c2ccccc2-c2cnn(C)c2N)CC1
InChIInChI=1S/C17H24N4/c1-20-10-5-6-13(9-11-20)14-7-3-4-8-15(14)16-12-19-21(2)17(16)18/h3-4,7-8,12-13H,5-6,9-11,18H2,1-2H3
InChIKeyUSKONIWFKHEIDL-UHFFFAOYSA-N
XLogP2.87
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[2-(oxolan-3-yl)phenyl]pyrazol-5-amine
CID 117360416
5-[2-(1-methylazepan-4-yl)phenyl]-1,2-oxazol-3-amine
CID 117431573
4-[3-chloro-4-(1-methylpiperidin-4-yl)phenyl]-1-methylpyrazol-5-amine
CID 117490119
1-methyl-4-[2-(4-methylpiperazin-1-yl)phenyl]pyrazol-5-amine
CID 117431613
[2-(1-methylazepan-4-yl)phenyl]methanamine
CID 83836854
4-(5-cyclopentyl-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117431595
2-(5-amino-1-methylpyrazol-4-yl)phenol
CID 105422844
N-methyl-2-[2-(1-methylazepan-4-yl)phenyl]ethanamine
CID 117369000
1-methyl-4-(2-propan-2-ylphenyl)pyrazol-5-amine
CID 117307113
4-cyclopropyl-1-methylpyrazol-5-amine
CID 105422536
4-(3-cyclohexyl-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117459944
4-[2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117309638

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(1-methylazepan-4-yl)phenyl]pyrazol-5-amine?
The IUPAC name of 1-methyl-4-[2-(1-methylazepan-4-yl)phenyl]pyrazol-5-amine (CID 117458050) is 1-methyl-4-[2-(1-methylazepan-4-yl)phenyl]pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-[2-(1-methylazepan-4-yl)phenyl]pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-[2-(1-methylazepan-4-yl)phenyl]pyrazol-5-amine is CN1CCCC(c2ccccc2-c2cnn(C)c2N)CC1.
What is the InChIKey of 1-methyl-4-[2-(1-methylazepan-4-yl)phenyl]pyrazol-5-amine?
The InChIKey is USKONIWFKHEIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-20-10-5-6-13(9-11-20)14-7-3-4-8-15(14)16-12-19-21(2)17(16)18/h3-4,7-8,12-13H,5-6,9-11,18H2,1-2H3.
What are the key properties of 1-methyl-4-[2-(1-methylazepan-4-yl)phenyl]pyrazol-5-amine?
1-methyl-4-[2-(1-methylazepan-4-yl)phenyl]pyrazol-5-amine has a molecular weight of 284.41 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(1-methylazepan-4-yl)phenyl]pyrazol-5-amine is sourced from PubChem (CID 117458050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).