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

C16H29N3O — CID 103029603

IUPAC1-(1-methylpyrazol-4-yl)-5-(oxolan-2-yl)-N-propylpentan-3-amine
SMILESCCCNC(CCc1cnn(C)c1)CCC1CCCO1
InChIInChI=1S/C16H29N3O/c1-3-10-17-15(8-9-16-5-4-11-20-16)7-6-14-12-18-19(2)13-14/h12-13,15-17H,3-11H2,1-2H3
InChIKeyIEHSENWZWWMOMU-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.68
Rot. Bonds9

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

1-(1-methylpyrazol-4-yl)-5-(oxolan-2-yl)-N-propylpentan-3-amine (PubChem CID 103029603) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-5-(oxolan-2-yl)-N-propylpentan-3-amine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-5-(oxolan-2-yl)-N-propylpentan-3-amine
PubChem CID103029603
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-(1-methylpyrazol-4-yl)-5-(oxolan-2-yl)-N-propylpentan-3-amine
SMILESCCCNC(CCc1cnn(C)c1)CCC1CCCO1
InChIInChI=1S/C16H29N3O/c1-3-10-17-15(8-9-16-5-4-11-20-16)7-6-14-12-18-19(2)13-14/h12-13,15-17H,3-11H2,1-2H3
InChIKeyIEHSENWZWWMOMU-UHFFFAOYSA-N
XLogP2.68
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methyl-1H-pyrazol-4-yl)oxan-4-amine dihydrochloride
CID 119056955
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
N-ethyl-4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine
CID 103024993
1-(1-ethylpyrazol-4-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103024996

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-5-(oxolan-2-yl)-N-propylpentan-3-amine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-5-(oxolan-2-yl)-N-propylpentan-3-amine (CID 103029603) is 1-(1-methylpyrazol-4-yl)-5-(oxolan-2-yl)-N-propylpentan-3-amine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-5-(oxolan-2-yl)-N-propylpentan-3-amine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-5-(oxolan-2-yl)-N-propylpentan-3-amine is CCCNC(CCc1cnn(C)c1)CCC1CCCO1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-5-(oxolan-2-yl)-N-propylpentan-3-amine?
The InChIKey is IEHSENWZWWMOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-3-10-17-15(8-9-16-5-4-11-20-16)7-6-14-12-18-19(2)13-14/h12-13,15-17H,3-11H2,1-2H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-5-(oxolan-2-yl)-N-propylpentan-3-amine?
1-(1-methylpyrazol-4-yl)-5-(oxolan-2-yl)-N-propylpentan-3-amine has a molecular weight of 279.43 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-5-(oxolan-2-yl)-N-propylpentan-3-amine is sourced from PubChem (CID 103029603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).