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

C16H29N3O — CID 103030126

IUPACN-ethyl-1-(1-methylpyrazol-4-yl)-5-(oxan-2-yl)pentan-3-amine
SMILESCCNC(CCc1cnn(C)c1)CCC1CCCCO1
InChIInChI=1S/C16H29N3O/c1-3-17-15(8-7-14-12-18-19(2)13-14)9-10-16-6-4-5-11-20-16/h12-13,15-17H,3-11H2,1-2H3
InChIKeyGCNVGGPWGCJWOS-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.68
Rot. Bonds8

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

N-ethyl-1-(1-methylpyrazol-4-yl)-5-(oxan-2-yl)pentan-3-amine (PubChem CID 103030126) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-ethyl-1-(1-methylpyrazol-4-yl)-5-(oxan-2-yl)pentan-3-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methylpyrazol-4-yl)-5-(oxan-2-yl)pentan-3-amine
PubChem CID103030126
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-ethyl-1-(1-methylpyrazol-4-yl)-5-(oxan-2-yl)pentan-3-amine
SMILESCCNC(CCc1cnn(C)c1)CCC1CCCCO1
InChIInChI=1S/C16H29N3O/c1-3-17-15(8-7-14-12-18-19(2)13-14)9-10-16-6-4-5-11-20-16/h12-13,15-17H,3-11H2,1-2H3
InChIKeyGCNVGGPWGCJWOS-UHFFFAOYSA-N
XLogP2.68
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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
1-(1-tert-butyl-1H-pyrazol-4-yl)-7-oxa-2-azaspiro(3.5)nonane
CID 137832709
1-(1-Methyl-1h-pyrazol-4-yl)-7-oxa-2-azaspiro[3.5]nonane dihydrochloride
CID 154878984
2-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine
CID 75446646
Rac-[(2r,3s)-2-(1-methyl-1h-pyrazol-4-yl)oxan-3-yl]methanamine
CID 124507216
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 N-ethyl-1-(1-methylpyrazol-4-yl)-5-(oxan-2-yl)pentan-3-amine?
The IUPAC name of N-ethyl-1-(1-methylpyrazol-4-yl)-5-(oxan-2-yl)pentan-3-amine (CID 103030126) is N-ethyl-1-(1-methylpyrazol-4-yl)-5-(oxan-2-yl)pentan-3-amine.
What is the SMILES notation for N-ethyl-1-(1-methylpyrazol-4-yl)-5-(oxan-2-yl)pentan-3-amine?
The canonical SMILES for N-ethyl-1-(1-methylpyrazol-4-yl)-5-(oxan-2-yl)pentan-3-amine is CCNC(CCc1cnn(C)c1)CCC1CCCCO1.
What is the InChIKey of N-ethyl-1-(1-methylpyrazol-4-yl)-5-(oxan-2-yl)pentan-3-amine?
The InChIKey is GCNVGGPWGCJWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-3-17-15(8-7-14-12-18-19(2)13-14)9-10-16-6-4-5-11-20-16/h12-13,15-17H,3-11H2,1-2H3.
What are the key properties of N-ethyl-1-(1-methylpyrazol-4-yl)-5-(oxan-2-yl)pentan-3-amine?
N-ethyl-1-(1-methylpyrazol-4-yl)-5-(oxan-2-yl)pentan-3-amine has a molecular weight of 279.43 g/mol, XLogP of 2.68, 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-(oxan-2-yl)pentan-3-amine is sourced from PubChem (CID 103030126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).