2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine

C17H24N4 — CID 20983040

IUPAC2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine
SMILESCc1nn(-c2ccccc2)c(N2CCCCC2)c1CCN
InChIInChI=1S/C17H24N4/c1-14-16(10-11-18)17(20-12-6-3-7-13-20)21(19-14)15-8-4-2-5-9-15/h2,4-5,8-9H,3,6-7,10-13,18H2,1H3
InChIKeyAUXUOSBNPOHAPZ-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.67
Rot. Bonds4

About 2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine

2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine (PubChem CID 20983040) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine
PubChem CID20983040
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine
SMILESCc1nn(-c2ccccc2)c(N2CCCCC2)c1CCN
InChIInChI=1S/C17H24N4/c1-14-16(10-11-18)17(20-12-6-3-7-13-20)21(19-14)15-8-4-2-5-9-15/h2,4-5,8-9H,3,6-7,10-13,18H2,1H3
InChIKeyAUXUOSBNPOHAPZ-UHFFFAOYSA-N
XLogP2.67
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)ethanamine
CID 20983039
N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]ethanamine
CID 43280293
2-(3-methyl-5-methylsulfanyl-1-phenylpyrazol-4-yl)ethanamine
CID 63818020
1-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperidin-3-ol
CID 61434843
[3-methyl-1-phenyl-5-(1,4-thiazepan-4-yl)pyrazol-4-yl]methanol
CID 61419727
2-[5-(4-bromopyrazol-1-yl)-3-methyl-1-phenylpyrazol-4-yl]ethanamine
CID 63816426
4-(2-aminoethyl)-N-ethyl-3-methyl-1-phenyl-N-propylpyrazol-5-amine
CID 63783051
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-amine
CID 79220501
2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
CID 117123912
N-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine
CID 781091
4-(2-aminoethyl)-N-(2-methoxyethyl)-N,3-dimethyl-1-phenylpyrazol-5-amine
CID 63785720
N-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]propan-2-amine
CID 24716253

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine (CID 20983040) is 2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine is Cc1nn(-c2ccccc2)c(N2CCCCC2)c1CCN.
What is the InChIKey of 2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine?
The InChIKey is AUXUOSBNPOHAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-14-16(10-11-18)17(20-12-6-3-7-13-20)21(19-14)15-8-4-2-5-9-15/h2,4-5,8-9H,3,6-7,10-13,18H2,1H3.
What are the key properties of 2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine?
2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine has a molecular weight of 284.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 20983040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).