N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(oxolan-2-yl)ethanamine

C13H23N3O — CID 65192062

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(oxolan-2-yl)ethanamine
SMILESCc1nn(C)cc1C(C)NC(C)C1CCCO1
InChIInChI=1S/C13H23N3O/c1-9(12-8-16(4)15-10(12)2)14-11(3)13-6-5-7-17-13/h8-9,11,13-14H,5-7H2,1-4H3
InChIKeyQBPBSALTWCQZGH-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.95
Rot. Bonds4

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(oxolan-2-yl)ethanamine

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 65192062) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(oxolan-2-yl)ethanamine
PubChem CID65192062
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(oxolan-2-yl)ethanamine
SMILESCc1nn(C)cc1C(C)NC(C)C1CCCO1
InChIInChI=1S/C13H23N3O/c1-9(12-8-16(4)15-10(12)2)14-11(3)13-6-5-7-17-13/h8-9,11,13-14H,5-7H2,1-4H3
InChIKeyQBPBSALTWCQZGH-UHFFFAOYSA-N
XLogP1.95
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide
CID 51390176
N-(dicyclopropylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 65191955
1-(1,3-dimethylpyrazol-4-yl)-N-(oxan-3-ylmethyl)ethanamine
CID 65197077
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 65197316
N-[1-(2,5-difluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 43208558
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,6-dimethylpiperidin-1-amine
CID 83009856
N-(cyclobutylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 65191855
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 81333722
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 43772020
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpentan-2-amine
CID 65191908
1-(1,3-dimethylpyrazol-4-yl)ethylhydrazine
CID 65196946
2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol
CID 65191852

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(oxolan-2-yl)ethanamine (CID 65192062) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(oxolan-2-yl)ethanamine is Cc1nn(C)cc1C(C)NC(C)C1CCCO1.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is QBPBSALTWCQZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9(12-8-16(4)15-10(12)2)14-11(3)13-6-5-7-17-13/h8-9,11,13-14H,5-7H2,1-4H3.
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(oxolan-2-yl)ethanamine has a molecular weight of 237.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 65192062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).