4-(ethylaminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine

C17H26N4 — CID 43280900

IUPAC4-(ethylaminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine
SMILESCCNCc1c(C)nn(-c2ccccc2)c1N(C)C(C)C
InChIInChI=1S/C17H26N4/c1-6-18-12-16-14(4)19-21(15-10-8-7-9-11-15)17(16)20(5)13(2)3/h7-11,13,18H,6,12H2,1-5H3
InChIKeyPJJZAGFTLFJGDP-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.13
Rot. Bonds6

About 4-(ethylaminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine

4-(ethylaminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine (PubChem CID 43280900) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine
PubChem CID43280900
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name4-(ethylaminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine
SMILESCCNCc1c(C)nn(-c2ccccc2)c1N(C)C(C)C
InChIInChI=1S/C17H26N4/c1-6-18-12-16-14(4)19-21(15-10-8-7-9-11-15)17(16)20(5)13(2)3/h7-11,13,18H,6,12H2,1-5H3
InChIKeyPJJZAGFTLFJGDP-UHFFFAOYSA-N
XLogP3.13
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine
CID 43122262
N-[(3-methyl-5-methylsulfanyl-1-phenylpyrazol-4-yl)methyl]ethanamine
CID 63813577
[3-methyl-5-[methyl(3-methylbutan-2-yl)amino]-1-phenylpyrazol-4-yl]methanol
CID 43570330
4-(bromomethyl)-N-butan-2-yl-N,3-dimethyl-1-phenylpyrazol-5-amine
CID 107080054
N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]ethanamine
CID 43280293
N-[[3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 84760417
[5-[ethyl(methyl)amino]-3-methyl-1-phenylpyrazol-4-yl]methanol
CID 43263588
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,3-dimethylbutan-1-amine
CID 64571084
4-(chloromethyl)-3-methyl-1-phenyl-N-propan-2-yl-N-propylpyrazol-5-amine
CID 43269808
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol
CID 43406566
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine
CID 79220500
4-[(cyclopropylamino)methyl]-N-ethyl-N,3-dimethyl-1-phenylpyrazol-5-amine
CID 43281591

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine?
The IUPAC name of 4-(ethylaminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine (CID 43280900) is 4-(ethylaminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 4-(ethylaminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 4-(ethylaminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine is CCNCc1c(C)nn(-c2ccccc2)c1N(C)C(C)C.
What is the InChIKey of 4-(ethylaminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine?
The InChIKey is PJJZAGFTLFJGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-6-18-12-16-14(4)19-21(15-10-8-7-9-11-15)17(16)20(5)13(2)3/h7-11,13,18H,6,12H2,1-5H3.
What are the key properties of 4-(ethylaminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine?
4-(ethylaminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine has a molecular weight of 286.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 43280900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).