N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]ethanamine

C17H24N4 — CID 43280293

IUPACN-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]ethanamine
SMILESCCNCc1c(C)nn(-c2ccccc2)c1N1CCCC1
InChIInChI=1S/C17H24N4/c1-3-18-13-16-14(2)19-21(15-9-5-4-6-10-15)17(16)20-11-7-8-12-20/h4-6,9-10,18H,3,7-8,11-13H2,1-2H3
InChIKeyOBYHJOXCAUQDQY-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.89
Rot. Bonds5

About N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]ethanamine

N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]ethanamine (PubChem CID 43280293) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]ethanamine
PubChem CID43280293
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]ethanamine
SMILESCCNCc1c(C)nn(-c2ccccc2)c1N1CCCC1
InChIInChI=1S/C17H24N4/c1-3-18-13-16-14(2)19-21(15-9-5-4-6-10-15)17(16)20-11-7-8-12-20/h4-6,9-10,18H,3,7-8,11-13H2,1-2H3
InChIKeyOBYHJOXCAUQDQY-UHFFFAOYSA-N
XLogP2.89
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.89
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-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]propan-2-amine
CID 24716253
2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine
CID 20983040
N-[(3-methyl-5-methylsulfanyl-1-phenylpyrazol-4-yl)methyl]ethanamine
CID 63813577
4-(ethylaminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine
CID 43280900
[3-methyl-1-phenyl-5-(1,4-thiazepan-4-yl)pyrazol-4-yl]methanol
CID 61419727
N-[[5-(4-benzylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 113222994
1-[4-(aminomethyl)-3-methyl-1-phenylpyrazol-5-yl]piperidin-3-ol
CID 61434843
N-[[1-(3-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]propan-1-amine
CID 42876329
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine
CID 79220500
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol
CID 43406566
N-[(3-methyl-1-phenyl-5-propylpyrazol-4-yl)methyl]butan-1-amine
CID 20721175

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]ethanamine (CID 43280293) is N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]ethanamine is CCNCc1c(C)nn(-c2ccccc2)c1N1CCCC1.
What is the InChIKey of N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is OBYHJOXCAUQDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-3-18-13-16-14(2)19-21(15-9-5-4-6-10-15)17(16)20-11-7-8-12-20/h4-6,9-10,18H,3,7-8,11-13H2,1-2H3.
What are the key properties of N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]ethanamine?
N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 284.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 43280293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).