N-[1-(1H-pyrazol-5-yl)ethyl]-2-(pyrrolidin-1-ylmethyl)aniline

C16H22N4 — CID 60971669

IUPACN-[1-(1H-pyrazol-5-yl)ethyl]-2-(pyrrolidin-1-ylmethyl)aniline
SMILESCC(Nc1ccccc1CN1CCCC1)c1ccn[nH]1
InChIInChI=1S/C16H22N4/c1-13(15-8-9-17-19-15)18-16-7-3-2-6-14(16)12-20-10-4-5-11-20/h2-3,6-9,13,18H,4-5,10-12H2,1H3,(H,17,19)
InChIKeyKMGAZERJBGUMTC-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.18
Rot. Bonds5

About N-[1-(1H-pyrazol-5-yl)ethyl]-2-(pyrrolidin-1-ylmethyl)aniline

N-[1-(1H-pyrazol-5-yl)ethyl]-2-(pyrrolidin-1-ylmethyl)aniline (PubChem CID 60971669) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[1-(1H-pyrazol-5-yl)ethyl]-2-(pyrrolidin-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-[1-(1H-pyrazol-5-yl)ethyl]-2-(pyrrolidin-1-ylmethyl)aniline
PubChem CID60971669
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[1-(1H-pyrazol-5-yl)ethyl]-2-(pyrrolidin-1-ylmethyl)aniline
SMILESCC(Nc1ccccc1CN1CCCC1)c1ccn[nH]1
InChIInChI=1S/C16H22N4/c1-13(15-8-9-17-19-15)18-16-7-3-2-6-14(16)12-20-10-4-5-11-20/h2-3,6-9,13,18H,4-5,10-12H2,1H3,(H,17,19)
InChIKeyKMGAZERJBGUMTC-UHFFFAOYSA-N
XLogP3.18
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclohexylethyl)-2-(pyrrolidin-1-ylmethyl)aniline
CID 43788848
1-piperidin-1-yl-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine
CID 54881889
N-[2-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanesulfonamide
CID 54881791
N-[1-(1H-pyrazol-5-yl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 54881348
N-phenyl-2-(piperidin-1-ylmethyl)aniline
CID 162401807
2,5-dimethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 60973136
(2R)-2-amino-4-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 104902926
(1S)-N-benzyl-1-(1H-pyrazol-5-yl)ethanamine
CID 93389562
2-(furan-2-yl)-N-[1-(1H-pyrazol-5-yl)ethyl]-2-pyrrolidin-1-ylethanamine
CID 60972656
(3S)-1-[[2-[[(1S)-1-cyclobutylethyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 100707846
(3R)-1-[[2-[[(1S)-1-cyclobutylethyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 129434666
N-[1-(1H-pyrazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 54881794

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrazol-5-yl)ethyl]-2-(pyrrolidin-1-ylmethyl)aniline?
The IUPAC name of N-[1-(1H-pyrazol-5-yl)ethyl]-2-(pyrrolidin-1-ylmethyl)aniline (CID 60971669) is N-[1-(1H-pyrazol-5-yl)ethyl]-2-(pyrrolidin-1-ylmethyl)aniline.
What is the SMILES notation for N-[1-(1H-pyrazol-5-yl)ethyl]-2-(pyrrolidin-1-ylmethyl)aniline?
The canonical SMILES for N-[1-(1H-pyrazol-5-yl)ethyl]-2-(pyrrolidin-1-ylmethyl)aniline is CC(Nc1ccccc1CN1CCCC1)c1ccn[nH]1.
What is the InChIKey of N-[1-(1H-pyrazol-5-yl)ethyl]-2-(pyrrolidin-1-ylmethyl)aniline?
The InChIKey is KMGAZERJBGUMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-13(15-8-9-17-19-15)18-16-7-3-2-6-14(16)12-20-10-4-5-11-20/h2-3,6-9,13,18H,4-5,10-12H2,1H3,(H,17,19).
What are the key properties of N-[1-(1H-pyrazol-5-yl)ethyl]-2-(pyrrolidin-1-ylmethyl)aniline?
N-[1-(1H-pyrazol-5-yl)ethyl]-2-(pyrrolidin-1-ylmethyl)aniline has a molecular weight of 270.38 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrazol-5-yl)ethyl]-2-(pyrrolidin-1-ylmethyl)aniline is sourced from PubChem (CID 60971669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).