1-(2-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-amine;hydrochloride

C14H19ClFN3O — CID 126964046

IUPAC1-(2-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-amine;hydrochloride
SMILESCOc1ccc(CNc2c(C)cnn2CCF)cc1.Cl
InChIInChI=1S/C14H18FN3O.ClH/c1-11-9-17-18(8-7-15)14(11)16-10-12-3-5-13(19-2)6-4-12;/h3-6,9,16H,7-8,10H2,1-2H3;1H
InChIKeyLGWGHNFWYONQHI-UHFFFAOYSA-N
MW299.78 g/mol
LogP3.20
Rot. Bonds6

About 1-(2-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-amine;hydrochloride

1-(2-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-amine;hydrochloride (PubChem CID 126964046) has the molecular formula C14H19ClFN3O and a molecular weight of 299.78 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-amine;hydrochloride
PubChem CID126964046
Molecular FormulaC14H19ClFN3O
Molecular Weight299.78 g/mol
Exact Mass299.12
IUPAC Name1-(2-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-amine;hydrochloride
SMILESCOc1ccc(CNc2c(C)cnn2CCF)cc1.Cl
InChIInChI=1S/C14H18FN3O.ClH/c1-11-9-17-18(8-7-15)14(11)16-10-12-3-5-13(19-2)6-4-12;/h3-6,9,16H,7-8,10H2,1-2H3;1H
InChIKeyLGWGHNFWYONQHI-UHFFFAOYSA-N
XLogP3.20
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluoroethyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride
CID 126968159
4-[[[1-(2-fluoroethyl)-4-methylpyrazol-5-yl]amino]methyl]benzene-1,3-diol;hydrochloride
CID 126968314
1-(2-fluoroethyl)-4-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-5-amine
CID 122167597
2-[4-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol;hydrochloride
CID 126965409
6-bromo-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 171578103
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
5-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 115620538
3-ethyl-N-[(4-methoxyphenyl)methyl]triazol-4-amine
CID 114222411
4-N-[(4-methoxyphenyl)methyl]-6-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 50795340
N-[(4-methoxyphenyl)methyl]-3,4-dimethylaniline
CID 775241
6-chloro-1-[(4-ethylphenyl)methyl]-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 166650677
2-N-[(4-methoxyphenyl)methyl]-5-methylpyridine-2,4-diamine
CID 83265796

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-amine;hydrochloride?
The IUPAC name of 1-(2-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-amine;hydrochloride (CID 126964046) is 1-(2-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-amine;hydrochloride.
What is the SMILES notation for 1-(2-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-amine;hydrochloride?
The canonical SMILES for 1-(2-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-amine;hydrochloride is COc1ccc(CNc2c(C)cnn2CCF)cc1.Cl.
What is the InChIKey of 1-(2-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-amine;hydrochloride?
The InChIKey is LGWGHNFWYONQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O.ClH/c1-11-9-17-18(8-7-15)14(11)16-10-12-3-5-13(19-2)6-4-12;/h3-6,9,16H,7-8,10H2,1-2H3;1H.
What are the key properties of 1-(2-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-amine;hydrochloride?
1-(2-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-amine;hydrochloride has a molecular weight of 299.78 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-amine;hydrochloride is sourced from PubChem (CID 126964046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).