N-ethyl-1-(1-methylpyrazol-4-yl)-5-(oxolan-2-yl)pentan-3-amine

C15H27N3O — CID 103029602

IUPACN-ethyl-1-(1-methylpyrazol-4-yl)-5-(oxolan-2-yl)pentan-3-amine
SMILESCCNC(CCc1cnn(C)c1)CCC1CCCO1
InChIInChI=1S/C15H27N3O/c1-3-16-14(8-9-15-5-4-10-19-15)7-6-13-11-17-18(2)12-13/h11-12,14-16H,3-10H2,1-2H3
InChIKeyURISWKLZVIGXRB-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.29
Rot. Bonds8

About N-ethyl-1-(1-methylpyrazol-4-yl)-5-(oxolan-2-yl)pentan-3-amine

N-ethyl-1-(1-methylpyrazol-4-yl)-5-(oxolan-2-yl)pentan-3-amine (PubChem CID 103029602) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-ethyl-1-(1-methylpyrazol-4-yl)-5-(oxolan-2-yl)pentan-3-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methylpyrazol-4-yl)-5-(oxolan-2-yl)pentan-3-amine
PubChem CID103029602
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-ethyl-1-(1-methylpyrazol-4-yl)-5-(oxolan-2-yl)pentan-3-amine
SMILESCCNC(CCc1cnn(C)c1)CCC1CCCO1
InChIInChI=1S/C15H27N3O/c1-3-16-14(8-9-15-5-4-10-19-15)7-6-13-11-17-18(2)12-13/h11-12,14-16H,3-10H2,1-2H3
InChIKeyURISWKLZVIGXRB-UHFFFAOYSA-N
XLogP2.29
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Furanamine, tetrahydro-2-(1-methyl-1H-pyrazol-4-yl)-, (2S,3R)-
CID 121553712
2-(1-methyl-1H-pyrazol-4-yl)oxan-4-amine dihydrochloride
CID 119056955
rac-(2R,3S)-2-[1-(propan-2-yl)-1H-pyrazol-4-yl]oxolan-3-amine dihydrochloride
CID 122155807
2,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]butan-1-amine
CID 71929305
2-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine
CID 75446646
1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 99827518
1-Cyclopentyl-3-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-ol
CID 132970547
1-(1-Ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine
CID 103024967
N-ethyl-1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine
CID 103024968
1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103024969
4-methoxy-N,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-2-amine
CID 103024991
4-Methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine
CID 103024992

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methylpyrazol-4-yl)-5-(oxolan-2-yl)pentan-3-amine?
The IUPAC name of N-ethyl-1-(1-methylpyrazol-4-yl)-5-(oxolan-2-yl)pentan-3-amine (CID 103029602) is N-ethyl-1-(1-methylpyrazol-4-yl)-5-(oxolan-2-yl)pentan-3-amine.
What is the SMILES notation for N-ethyl-1-(1-methylpyrazol-4-yl)-5-(oxolan-2-yl)pentan-3-amine?
The canonical SMILES for N-ethyl-1-(1-methylpyrazol-4-yl)-5-(oxolan-2-yl)pentan-3-amine is CCNC(CCc1cnn(C)c1)CCC1CCCO1.
What is the InChIKey of N-ethyl-1-(1-methylpyrazol-4-yl)-5-(oxolan-2-yl)pentan-3-amine?
The InChIKey is URISWKLZVIGXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-16-14(8-9-15-5-4-10-19-15)7-6-13-11-17-18(2)12-13/h11-12,14-16H,3-10H2,1-2H3.
What are the key properties of N-ethyl-1-(1-methylpyrazol-4-yl)-5-(oxolan-2-yl)pentan-3-amine?
N-ethyl-1-(1-methylpyrazol-4-yl)-5-(oxolan-2-yl)pentan-3-amine has a molecular weight of 265.40 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methylpyrazol-4-yl)-5-(oxolan-2-yl)pentan-3-amine is sourced from PubChem (CID 103029602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).