1-[1-[1-(1-phenylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine

C17H24N4 — CID 103975704

IUPAC1-[1-[1-(1-phenylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(C(C)c2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C17H24N4/c1-13(18)15-8-9-20(11-15)14(2)16-10-19-21(12-16)17-6-4-3-5-7-17/h3-7,10,12-15H,8-9,11,18H2,1-2H3
InChIKeyNAYOVEGGVFHDFW-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.60
Rot. Bonds4

About 1-[1-[1-(1-phenylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine

1-[1-[1-(1-phenylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine (PubChem CID 103975704) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-[1-[1-(1-phenylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[1-(1-phenylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine
PubChem CID103975704
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name1-[1-[1-(1-phenylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(C(C)c2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C17H24N4/c1-13(18)15-8-9-20(11-15)14(2)16-10-19-21(12-16)17-6-4-3-5-7-17/h3-7,10,12-15H,8-9,11,18H2,1-2H3
InChIKeyNAYOVEGGVFHDFW-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine
CID 81471476
5-[1-(1-phenylpyrazol-4-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 81451490
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
1-[1-[1-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975691
4-[bromo(cyclopropyl)methyl]-1-phenylpyrazole
CID 61095952
1-[1-[1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975586
1-[1-[1-(2-bromophenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 112630248
2-cycloheptyl-1-(1-phenylpyrazol-4-yl)ethanamine
CID 114457498
(1S)-1-cyclopentyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]ethanamine
CID 81473468
2-(2-ethylpyrrolidin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanamine
CID 60974191
4-[bromo(cyclobutyl)methyl]-1-phenylpyrazole
CID 61096953
1-cyclobutyl-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486034

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(1-phenylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[1-(1-phenylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine (CID 103975704) is 1-[1-[1-(1-phenylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[1-(1-phenylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[1-(1-phenylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine is CC(N)C1CCN(C(C)c2cnn(-c3ccccc3)c2)C1.
What is the InChIKey of 1-[1-[1-(1-phenylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine?
The InChIKey is NAYOVEGGVFHDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13(18)15-8-9-20(11-15)14(2)16-10-19-21(12-16)17-6-4-3-5-7-17/h3-7,10,12-15H,8-9,11,18H2,1-2H3.
What are the key properties of 1-[1-[1-(1-phenylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine?
1-[1-[1-(1-phenylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine has a molecular weight of 284.41 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(1-phenylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 103975704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).