1-[1-(2-chlorophenyl)pyrazol-4-yl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]methanamine

C17H22ClN3O — CID 131908261

IUPAC1-[1-(2-chlorophenyl)pyrazol-4-yl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]methanamine
SMILESCOCC1(CNCc2cnn(-c3ccccc3Cl)c2)CCC1
InChIInChI=1S/C17H22ClN3O/c1-22-13-17(7-4-8-17)12-19-9-14-10-20-21(11-14)16-6-3-2-5-15(16)18/h2-3,5-6,10-11,19H,4,7-9,12-13H2,1H3
InChIKeyQTYIIAQWUVJFBG-UHFFFAOYSA-N
MW319.84 g/mol
LogP3.43
Rot. Bonds7

About 1-[1-(2-chlorophenyl)pyrazol-4-yl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]methanamine

1-[1-(2-chlorophenyl)pyrazol-4-yl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]methanamine (PubChem CID 131908261) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)pyrazol-4-yl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]methanamine.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)pyrazol-4-yl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]methanamine
PubChem CID131908261
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC Name1-[1-(2-chlorophenyl)pyrazol-4-yl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]methanamine
SMILESCOCC1(CNCc2cnn(-c3ccccc3Cl)c2)CCC1
InChIInChI=1S/C17H22ClN3O/c1-22-13-17(7-4-8-17)12-19-9-14-10-20-21(11-14)16-6-3-2-5-15(16)18/h2-3,5-6,10-11,19H,4,7-9,12-13H2,1H3
InChIKeyQTYIIAQWUVJFBG-UHFFFAOYSA-N
XLogP3.43
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methyl-1-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]urea
CID 122566068
N-[[1-(methoxymethyl)cyclobutyl]methyl]-1-(2-phenylpyrazol-3-yl)methanamine
CID 131910912
N-[[1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]ethanamine
CID 61272499
1-[1-(2-chlorophenyl)pyrazol-4-yl]propan-2-amine
CID 83896850
1-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 63932266
(4S)-1-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]-3,3,4-trimethylpiperidin-4-ol
CID 72878485
4-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]thiomorpholine
CID 77097579
1-(1-tert-butylpyrazol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802349
1-(2-chlorophenyl)-4-(pyrrolidin-2-ylmethyl)pyrazole
CID 115054113
N-[(1-ethylcyclopentyl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine
CID 103766160
N-[[1-(methoxymethyl)cyclobutyl]methyl]-1-(1-methylindol-5-yl)methanamine
CID 131908152
2-(2-chlorophenyl)-2-hydroxy-N-[[1-(methoxymethyl)cyclopentyl]methyl]acetamide
CID 91765732

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)pyrazol-4-yl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]methanamine?
The IUPAC name of 1-[1-(2-chlorophenyl)pyrazol-4-yl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]methanamine (CID 131908261) is 1-[1-(2-chlorophenyl)pyrazol-4-yl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]methanamine.
What is the SMILES notation for 1-[1-(2-chlorophenyl)pyrazol-4-yl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]methanamine?
The canonical SMILES for 1-[1-(2-chlorophenyl)pyrazol-4-yl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]methanamine is COCC1(CNCc2cnn(-c3ccccc3Cl)c2)CCC1.
What is the InChIKey of 1-[1-(2-chlorophenyl)pyrazol-4-yl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]methanamine?
The InChIKey is QTYIIAQWUVJFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O/c1-22-13-17(7-4-8-17)12-19-9-14-10-20-21(11-14)16-6-3-2-5-15(16)18/h2-3,5-6,10-11,19H,4,7-9,12-13H2,1H3.
What are the key properties of 1-[1-(2-chlorophenyl)pyrazol-4-yl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]methanamine?
1-[1-(2-chlorophenyl)pyrazol-4-yl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]methanamine has a molecular weight of 319.84 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)pyrazol-4-yl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]methanamine is sourced from PubChem (CID 131908261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).