N-ethyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylethanamine

C22H29N5O — CID 42194644

IUPACN-ethyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylethanamine
SMILESCCN(CCn1cccn1)Cc1nc(C2(c3ccc(C)cc3)CCCC2)no1
InChIInChI=1S/C22H29N5O/c1-3-26(15-16-27-14-6-13-23-27)17-20-24-21(25-28-20)22(11-4-5-12-22)19-9-7-18(2)8-10-19/h6-10,13-14H,3-5,11-12,15-17H2,1-2H3
InChIKeyCIGIIVQVOWUOHH-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.96
Rot. Bonds8

About N-ethyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylethanamine

N-ethyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylethanamine (PubChem CID 42194644) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is N-ethyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylethanamine
PubChem CID42194644
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC NameN-ethyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylethanamine
SMILESCCN(CCn1cccn1)Cc1nc(C2(c3ccc(C)cc3)CCCC2)no1
InChIInChI=1S/C22H29N5O/c1-3-26(15-16-27-14-6-13-23-27)17-20-24-21(25-28-20)22(11-4-5-12-22)19-9-7-18(2)8-10-19/h6-10,13-14H,3-5,11-12,15-17H2,1-2H3
InChIKeyCIGIIVQVOWUOHH-UHFFFAOYSA-N
XLogP3.96
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylethanamine?
The IUPAC name of N-ethyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylethanamine (CID 42194644) is N-ethyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylethanamine.
What is the SMILES notation for N-ethyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylethanamine?
The canonical SMILES for N-ethyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylethanamine is CCN(CCn1cccn1)Cc1nc(C2(c3ccc(C)cc3)CCCC2)no1.
What is the InChIKey of N-ethyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylethanamine?
The InChIKey is CIGIIVQVOWUOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-3-26(15-16-27-14-6-13-23-27)17-20-24-21(25-28-20)22(11-4-5-12-22)19-9-7-18(2)8-10-19/h6-10,13-14H,3-5,11-12,15-17H2,1-2H3.
What are the key properties of N-ethyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylethanamine?
N-ethyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylethanamine has a molecular weight of 379.51 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 42194644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).