N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)ethanamine

C14H25N3O — CID 43772054

IUPACN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(C)c1nn(C)cc1CNC(C)C1CCCO1
InChIInChI=1S/C14H25N3O/c1-10(2)14-12(9-17(4)16-14)8-15-11(3)13-6-5-7-18-13/h9-11,13,15H,5-8H2,1-4H3
InChIKeyBYDRHDLIPZNENJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.20
Rot. Bonds5

About N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)ethanamine

N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 43772054) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)ethanamine
PubChem CID43772054
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(C)c1nn(C)cc1CNC(C)C1CCCO1
InChIInChI=1S/C14H25N3O/c1-10(2)14-12(9-17(4)16-14)8-15-11(3)13-6-5-7-18-13/h9-11,13,15H,5-8H2,1-4H3
InChIKeyBYDRHDLIPZNENJ-UHFFFAOYSA-N
XLogP2.20
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 97108447
[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine
CID 146444856
(R)-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine
CID 146444857
(R)-(4,4-difluoro-2-methyloxolan-2-yl)-(1,4-dimethylpyrazol-3-yl)methanamine
CID 146444859
(2R)-N-ethyl-4-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]butan-2-amine
CID 148711828
1-Methyl-4-[4-[2-(4-methylpyrazol-1-yl)ethoxy]butan-2-yl]-3-(trifluoromethyl)pyrazole
CID 169576776
3-Cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-4-(trifluoromethyl)pyrazole
CID 175828675
N-ethyl-1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029626
1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103029627
1-(3-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103029638
4-(2-Methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-amine
CID 103030382
N-ethyl-1-(5-methyloxolan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030401

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)ethanamine (CID 43772054) is N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)ethanamine is CC(C)c1nn(C)cc1CNC(C)C1CCCO1.
What is the InChIKey of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is BYDRHDLIPZNENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10(2)14-12(9-17(4)16-14)8-15-11(3)13-6-5-7-18-13/h9-11,13,15H,5-8H2,1-4H3.
What are the key properties of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)ethanamine?
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)ethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 43772054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).