1-[1-(2-ethylbutyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride

C18H28ClN3O — CID 66665001

IUPAC1-[1-(2-ethylbutyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride
SMILESCCC(CC)Cn1nc(CNC)cc1OCc1ccccc1.Cl
InChIInChI=1S/C18H27N3O.ClH/c1-4-15(5-2)13-21-18(11-17(20-21)12-19-3)22-14-16-9-7-6-8-10-16;/h6-11,15,19H,4-5,12-14H2,1-3H3;1H
InChIKeyQBLQLEJHFUAQGL-UHFFFAOYSA-N
MW337.90 g/mol
LogP4.04
Rot. Bonds9

About 1-[1-(2-ethylbutyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride

1-[1-(2-ethylbutyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride (PubChem CID 66665001) has the molecular formula C18H28ClN3O and a molecular weight of 337.90 g/mol. Its IUPAC name is 1-[1-(2-ethylbutyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(2-ethylbutyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride
PubChem CID66665001
Molecular FormulaC18H28ClN3O
Molecular Weight337.90 g/mol
Exact Mass337.19
IUPAC Name1-[1-(2-ethylbutyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride
SMILESCCC(CC)Cn1nc(CNC)cc1OCc1ccccc1.Cl
InChIInChI=1S/C18H27N3O.ClH/c1-4-15(5-2)13-21-18(11-17(20-21)12-19-3)22-14-16-9-7-6-8-10-16;/h6-11,15,19H,4-5,12-14H2,1-3H3;1H
InChIKeyQBLQLEJHFUAQGL-UHFFFAOYSA-N
XLogP4.04
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.90
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzyl-5-phenylmethoxypyrazol-3-yl)-N-methylmethanamine
CID 66665539
cyclohexane;1-[1-(2-fluoroethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride
CID 174683131
1-[1-(cyclopentylmethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine
CID 66665075
1-[1-(3-methoxy-3-methylbutyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine
CID 66665056
N-methyl-1-[5-phenylmethoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-3-yl]methanamine
CID 87096231
N-methyl-1-[1-[(2E,4Z)-2-methylhexa-2,4-dienyl]-5-phenylmethoxypyrazol-3-yl]methanamine
CID 130293873
1-[1-(1-cyclopentylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride
CID 66665468
1-[1-(1-cyclohexylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine
CID 66665153
1-[1-(cyclohexylmethyl)-5-[(3-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine
CID 56600351
N-methyl-1-(2-phenylmethoxy-1,3-thiazol-4-yl)methanamine
CID 131072397
N-methyl-1-[3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 64801948
1-[1-(cyclopentylmethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid
CID 66665335

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylbutyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[1-(2-ethylbutyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride (CID 66665001) is 1-[1-(2-ethylbutyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(2-ethylbutyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[1-(2-ethylbutyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride is CCC(CC)Cn1nc(CNC)cc1OCc1ccccc1.Cl.
What is the InChIKey of 1-[1-(2-ethylbutyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is QBLQLEJHFUAQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O.ClH/c1-4-15(5-2)13-21-18(11-17(20-21)12-19-3)22-14-16-9-7-6-8-10-16;/h6-11,15,19H,4-5,12-14H2,1-3H3;1H.
What are the key properties of 1-[1-(2-ethylbutyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride?
1-[1-(2-ethylbutyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 337.90 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylbutyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 66665001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).