1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine

C13H22ClN3O2 — CID 104760798

IUPAC1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
SMILESCCc1nn(C)c(CNCC2(OC)CCOC2)c1Cl
InChIInChI=1S/C13H22ClN3O2/c1-4-10-12(14)11(17(2)16-10)7-15-8-13(18-3)5-6-19-9-13/h15H,4-9H2,1-3H3
InChIKeyGFOXHPWYTKNGBR-UHFFFAOYSA-N
MW287.79 g/mol
LogP1.53
Rot. Bonds6

About 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine

1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine (PubChem CID 104760798) has the molecular formula C13H22ClN3O2 and a molecular weight of 287.79 g/mol. Its IUPAC name is 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
PubChem CID104760798
Molecular FormulaC13H22ClN3O2
Molecular Weight287.79 g/mol
Exact Mass287.14
IUPAC Name1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
SMILESCCc1nn(C)c(CNCC2(OC)CCOC2)c1Cl
InChIInChI=1S/C13H22ClN3O2/c1-4-10-12(14)11(17(2)16-10)7-15-8-13(18-3)5-6-19-9-13/h15H,4-9H2,1-3H3
InChIKeyGFOXHPWYTKNGBR-UHFFFAOYSA-N
XLogP1.53
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine with MolForge

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Related Compounds

1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 113450199
1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104704877
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 114119382
N-[(3-methoxyoxolan-3-yl)methyl]-1-(2-methyltetrazol-5-yl)methanamine
CID 107042678
1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 113443313
N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103438062
N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106212329
1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104760674
1-(3-chloro-2-fluorophenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104704871
1-(2-chloro-5-fluorophenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 102615943
N-[(3-methoxyoxolan-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 104759716
N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114941939

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
The IUPAC name of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine (CID 104760798) is 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
The canonical SMILES for 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine is CCc1nn(C)c(CNCC2(OC)CCOC2)c1Cl.
What is the InChIKey of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
The InChIKey is GFOXHPWYTKNGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O2/c1-4-10-12(14)11(17(2)16-10)7-15-8-13(18-3)5-6-19-9-13/h15H,4-9H2,1-3H3.
What are the key properties of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine has a molecular weight of 287.79 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine is sourced from PubChem (CID 104760798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).