N-[[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]ethanamine

C14H17F2N3 — CID 66440879

IUPACN-[[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(-c2cccc(C)c2)c1C(F)F
InChIInChI=1S/C14H17F2N3/c1-3-17-8-11-9-18-19(13(11)14(15)16)12-6-4-5-10(2)7-12/h4-7,9,14,17H,3,8H2,1-2H3
InChIKeyPCPAYIQSZLNLGR-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.23
Rot. Bonds5

About N-[[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]ethanamine

N-[[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]ethanamine (PubChem CID 66440879) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]ethanamine
PubChem CID66440879
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(-c2cccc(C)c2)c1C(F)F
InChIInChI=1S/C14H17F2N3/c1-3-17-8-11-9-18-19(13(11)14(15)16)12-6-4-5-10(2)7-12/h4-7,9,14,17H,3,8H2,1-2H3
InChIKeyPCPAYIQSZLNLGR-UHFFFAOYSA-N
XLogP3.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methyl]ethanamine
CID 66440964
1-[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]-N-methylmethanamine
CID 66440074
[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol
CID 66436584
N-[[5-(difluoromethyl)-1-(2,4-dimethylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 66441107
N-[[5-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66442168
N-[[3-(3-methylphenyl)triazol-4-yl]methyl]ethanamine
CID 107451191
N-[[5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-yl]methyl]propan-1-amine
CID 66439707
N-[[5-(difluoromethyl)-1-(3-methoxyphenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 114798945
N-[[5-cyclopropyl-1-(3-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine
CID 66442486
N-[[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine
CID 66442086
N-[[1-(3,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]ethanamine
CID 66440506
4-(bromomethyl)-5-(difluoromethyl)-1-(3-methoxyphenyl)pyrazole
CID 114799005

Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]ethanamine (CID 66440879) is N-[[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]ethanamine is CCNCc1cnn(-c2cccc(C)c2)c1C(F)F.
What is the InChIKey of N-[[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]ethanamine?
The InChIKey is PCPAYIQSZLNLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-3-17-8-11-9-18-19(13(11)14(15)16)12-6-4-5-10(2)7-12/h4-7,9,14,17H,3,8H2,1-2H3.
What are the key properties of N-[[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]ethanamine?
N-[[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]ethanamine has a molecular weight of 265.31 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66440879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).