1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-3-methylpyrazol-4-amine

C14H17F2N3O — CID 122168109

IUPAC1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-3-methylpyrazol-4-amine
SMILESCCOc1ccc(CNc2cn(C(F)F)nc2C)cc1
InChIInChI=1S/C14H17F2N3O/c1-3-20-12-6-4-11(5-7-12)8-17-13-9-19(14(15)16)18-10(13)2/h4-7,9,14,17H,3,8H2,1-2H3
InChIKeyHWJMSFYCVCVYRO-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.60
Rot. Bonds6

About 1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-3-methylpyrazol-4-amine

1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-3-methylpyrazol-4-amine (PubChem CID 122168109) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-3-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-3-methylpyrazol-4-amine
PubChem CID122168109
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-3-methylpyrazol-4-amine
SMILESCCOc1ccc(CNc2cn(C(F)F)nc2C)cc1
InChIInChI=1S/C14H17F2N3O/c1-3-20-12-6-4-11(5-7-12)8-17-13-9-19(14(15)16)18-10(13)2/h4-7,9,14,17H,3,8H2,1-2H3
InChIKeyHWJMSFYCVCVYRO-UHFFFAOYSA-N
XLogP3.60
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(difluoromethyl)-N-[(3-fluorophenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride
CID 126966938
1-(difluoromethyl)-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 122166559
N-[(4-ethoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664320
1-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride
CID 126967481
2,5-dichloro-N-[(4-ethoxyphenyl)methyl]-4-methylaniline
CID 104726046
N-[[4-(difluoromethyl)phenyl]methyl]-4-ethoxy-2-methylaniline
CID 115523834
2-[[1-(difluoromethyl)-3-methylpyrazol-4-yl]amino]acetic acid
CID 154882073
N-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine
CID 122168201
1-butan-2-yl-N-[(4-ethoxyphenyl)methyl]pyrazol-3-amine
CID 122168215
2-ethoxy-N-[(4-ethoxyphenyl)methyl]pyridin-3-amine
CID 43706214
N-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 122168310
N-[(4-ethoxyphenyl)methyl]-2,3,5-trifluoroaniline
CID 62810857

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-3-methylpyrazol-4-amine?
The IUPAC name of 1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-3-methylpyrazol-4-amine (CID 122168109) is 1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-3-methylpyrazol-4-amine.
What is the SMILES notation for 1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-3-methylpyrazol-4-amine?
The canonical SMILES for 1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-3-methylpyrazol-4-amine is CCOc1ccc(CNc2cn(C(F)F)nc2C)cc1.
What is the InChIKey of 1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-3-methylpyrazol-4-amine?
The InChIKey is HWJMSFYCVCVYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-3-20-12-6-4-11(5-7-12)8-17-13-9-19(14(15)16)18-10(13)2/h4-7,9,14,17H,3,8H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-3-methylpyrazol-4-amine?
1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-3-methylpyrazol-4-amine has a molecular weight of 281.31 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-3-methylpyrazol-4-amine is sourced from PubChem (CID 122168109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).