N-[(3-cyclopentyloxyphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine

C24H29N3O — CID 45215958

IUPACN-[(3-cyclopentyloxyphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
SMILESCc1c(C(C)NCc2cccc(OC3CCCC3)c2)cnn1-c1ccccc1
InChIInChI=1S/C24H29N3O/c1-18(24-17-26-27(19(24)2)21-10-4-3-5-11-21)25-16-20-9-8-14-23(15-20)28-22-12-6-7-13-22/h3-5,8-11,14-15,17-18,22,25H,6-7,12-13,16H2,1-2H3
InChIKeyJUSARYURLVCYEY-UHFFFAOYSA-N
MW375.52 g/mol
LogP5.35
Rot. Bonds7

About N-[(3-cyclopentyloxyphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine

N-[(3-cyclopentyloxyphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine (PubChem CID 45215958) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[(3-cyclopentyloxyphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-cyclopentyloxyphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
PubChem CID45215958
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC NameN-[(3-cyclopentyloxyphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
SMILESCc1c(C(C)NCc2cccc(OC3CCCC3)c2)cnn1-c1ccccc1
InChIInChI=1S/C24H29N3O/c1-18(24-17-26-27(19(24)2)21-10-4-3-5-11-21)25-16-20-9-8-14-23(15-20)28-22-12-6-7-13-22/h3-5,8-11,14-15,17-18,22,25H,6-7,12-13,16H2,1-2H3
InChIKeyJUSARYURLVCYEY-UHFFFAOYSA-N
XLogP5.35
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(3-methoxyphenyl)methyl]ethanamine
CID 25296947
(1R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
CID 51902743
(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-pyrimidin-2-yloxyphenyl)methyl]ethanamine
CID 42460983
(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]ethanamine
CID 42592797
(1S)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
CID 42241816
2-[(3-cyclopentyloxyphenyl)methylamino]-2-phenylethanol
CID 111421775
(1S)-N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
CID 25312272
N-[(4-fluoro-3-methoxyphenyl)methyl]-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 45231274
1-[3-[[[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]phenyl]ethanone
CID 25481660
N-[(3-cyclohexyloxyphenyl)methyl]-2-methylpropan-2-amine
CID 55148555
1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine
CID 45214362
N-[[3-(3-cyclopropyloxyphenyl)phenyl]methyl]propan-2-amine
CID 114522593

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopentyloxyphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[(3-cyclopentyloxyphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine (CID 45215958) is N-[(3-cyclopentyloxyphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[(3-cyclopentyloxyphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[(3-cyclopentyloxyphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine is Cc1c(C(C)NCc2cccc(OC3CCCC3)c2)cnn1-c1ccccc1.
What is the InChIKey of N-[(3-cyclopentyloxyphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine?
The InChIKey is JUSARYURLVCYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-18(24-17-26-27(19(24)2)21-10-4-3-5-11-21)25-16-20-9-8-14-23(15-20)28-22-12-6-7-13-22/h3-5,8-11,14-15,17-18,22,25H,6-7,12-13,16H2,1-2H3.
What are the key properties of N-[(3-cyclopentyloxyphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine?
N-[(3-cyclopentyloxyphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine has a molecular weight of 375.52 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopentyloxyphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 45215958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).