N-[(1R)-1-naphthalen-1-ylethyl]-3-[4-(2-pyrazol-1-ylethoxy)phenyl]cyclopentan-1-amine

C28H31N3O — CID 68781025

IUPACN-[(1R)-1-naphthalen-1-ylethyl]-3-[4-(2-pyrazol-1-ylethoxy)phenyl]cyclopentan-1-amine
SMILESC[C@@H](NC1CCC(c2ccc(OCCn3cccn3)cc2)C1)c1cccc2ccccc12
InChIInChI=1S/C28H31N3O/c1-21(27-9-4-7-23-6-2-3-8-28(23)27)30-25-13-10-24(20-25)22-11-14-26(15-12-22)32-19-18-31-17-5-16-29-31/h2-9,11-12,14-17,21,24-25,30H,10,13,18-20H2,1H3/t21-,24?,25?/m1/s1
InChIKeyJKNCBRSFPHCIKJ-BURHJUHKSA-N
MW425.58 g/mol
LogP6.10
Rot. Bonds8

About N-[(1R)-1-naphthalen-1-ylethyl]-3-[4-(2-pyrazol-1-ylethoxy)phenyl]cyclopentan-1-amine

N-[(1R)-1-naphthalen-1-ylethyl]-3-[4-(2-pyrazol-1-ylethoxy)phenyl]cyclopentan-1-amine (PubChem CID 68781025) has the molecular formula C28H31N3O and a molecular weight of 425.58 g/mol. Its IUPAC name is N-[(1R)-1-naphthalen-1-ylethyl]-3-[4-(2-pyrazol-1-ylethoxy)phenyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-naphthalen-1-ylethyl]-3-[4-(2-pyrazol-1-ylethoxy)phenyl]cyclopentan-1-amine
PubChem CID68781025
Molecular FormulaC28H31N3O
Molecular Weight425.58 g/mol
Exact Mass425.25
IUPAC NameN-[(1R)-1-naphthalen-1-ylethyl]-3-[4-(2-pyrazol-1-ylethoxy)phenyl]cyclopentan-1-amine
SMILESC[C@@H](NC1CCC(c2ccc(OCCn3cccn3)cc2)C1)c1cccc2ccccc12
InChIInChI=1S/C28H31N3O/c1-21(27-9-4-7-23-6-2-3-8-28(23)27)30-25-13-10-24(20-25)22-11-14-26(15-12-22)32-19-18-31-17-5-16-29-31/h2-9,11-12,14-17,21,24-25,30H,10,13,18-20H2,1H3/t21-,24?,25?/m1/s1
InChIKeyJKNCBRSFPHCIKJ-BURHJUHKSA-N
XLogP6.10
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

formic acid;2-[4-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]ethanol
CID 159697222
2-hydroxy-3-[4-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]propanoic acid
CID 141396243
2-[4-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]propanoyl chloride
CID 142764374
4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]benzoic acid
CID 68781148
4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]benzoic acid
CID 59617339
2-[4-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]-2-phenylacetic acid
CID 59617228
3-(4-iodophenyl)-N-(1-naphthalen-1-ylethyl)cyclohexan-1-amine
CID 68779176
ethyl 2-[4-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]sulfanylacetate
CID 67296479
5-(4-ethoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]-2-propylcyclohexan-1-amine
CID 59617291
[4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]methanol
CID 42624182
ethyl 2-[4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]anilino]acetate
CID 77261600
2-(2-fluorophenyl)-2-[4-[(1R,3S)-3-(1-naphthalen-1-ylethylamino)cyclopentyl]phenoxy]acetic acid;hydrochloride
CID 68760842

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-naphthalen-1-ylethyl]-3-[4-(2-pyrazol-1-ylethoxy)phenyl]cyclopentan-1-amine?
The IUPAC name of N-[(1R)-1-naphthalen-1-ylethyl]-3-[4-(2-pyrazol-1-ylethoxy)phenyl]cyclopentan-1-amine (CID 68781025) is N-[(1R)-1-naphthalen-1-ylethyl]-3-[4-(2-pyrazol-1-ylethoxy)phenyl]cyclopentan-1-amine.
What is the SMILES notation for N-[(1R)-1-naphthalen-1-ylethyl]-3-[4-(2-pyrazol-1-ylethoxy)phenyl]cyclopentan-1-amine?
The canonical SMILES for N-[(1R)-1-naphthalen-1-ylethyl]-3-[4-(2-pyrazol-1-ylethoxy)phenyl]cyclopentan-1-amine is C[C@@H](NC1CCC(c2ccc(OCCn3cccn3)cc2)C1)c1cccc2ccccc12.
What is the InChIKey of N-[(1R)-1-naphthalen-1-ylethyl]-3-[4-(2-pyrazol-1-ylethoxy)phenyl]cyclopentan-1-amine?
The InChIKey is JKNCBRSFPHCIKJ-BURHJUHKSA-N. The full InChI is InChI=1S/C28H31N3O/c1-21(27-9-4-7-23-6-2-3-8-28(23)27)30-25-13-10-24(20-25)22-11-14-26(15-12-22)32-19-18-31-17-5-16-29-31/h2-9,11-12,14-17,21,24-25,30H,10,13,18-20H2,1H3/t21-,24?,25?/m1/s1.
What are the key properties of N-[(1R)-1-naphthalen-1-ylethyl]-3-[4-(2-pyrazol-1-ylethoxy)phenyl]cyclopentan-1-amine?
N-[(1R)-1-naphthalen-1-ylethyl]-3-[4-(2-pyrazol-1-ylethoxy)phenyl]cyclopentan-1-amine has a molecular weight of 425.58 g/mol, XLogP of 6.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-naphthalen-1-ylethyl]-3-[4-(2-pyrazol-1-ylethoxy)phenyl]cyclopentan-1-amine is sourced from PubChem (CID 68781025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).