N-[[5-(difluoromethyl)-1-(3-methoxyphenyl)pyrazol-4-yl]methyl]cyclopropanamine

C15H17F2N3O — CID 114798945

IUPACN-[[5-(difluoromethyl)-1-(3-methoxyphenyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESCOc1cccc(-n2ncc(CNC3CC3)c2C(F)F)c1
InChIInChI=1S/C15H17F2N3O/c1-21-13-4-2-3-12(7-13)20-14(15(16)17)10(9-19-20)8-18-11-5-6-11/h2-4,7,9,11,15,18H,5-6,8H2,1H3
InChIKeyFUFLXTBRVOZCRC-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.07
Rot. Bonds6

About N-[[5-(difluoromethyl)-1-(3-methoxyphenyl)pyrazol-4-yl]methyl]cyclopropanamine

N-[[5-(difluoromethyl)-1-(3-methoxyphenyl)pyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 114798945) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is N-[[5-(difluoromethyl)-1-(3-methoxyphenyl)pyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(difluoromethyl)-1-(3-methoxyphenyl)pyrazol-4-yl]methyl]cyclopropanamine
PubChem CID114798945
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC NameN-[[5-(difluoromethyl)-1-(3-methoxyphenyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESCOc1cccc(-n2ncc(CNC3CC3)c2C(F)F)c1
InChIInChI=1S/C15H17F2N3O/c1-21-13-4-2-3-12(7-13)20-14(15(16)17)10(9-19-20)8-18-11-5-6-11/h2-4,7,9,11,15,18H,5-6,8H2,1H3
InChIKeyFUFLXTBRVOZCRC-UHFFFAOYSA-N
XLogP3.07
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-5-(difluoromethyl)-1-(3-methoxyphenyl)pyrazole
CID 114799000
4-(bromomethyl)-5-(difluoromethyl)-1-(3-methoxyphenyl)pyrazole
CID 114799005
N-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 66440309
1-[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]-N-methylmethanamine
CID 66440074
5-(difluoromethyl)-1-(3-methoxyphenyl)pyrazole-4-carboxylic acid
CID 114797921
N-[[5-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methyl]ethanamine
CID 66440964
N-[[1-(4-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine
CID 66440578
N-[[1-(3-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 82527947
N-[[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine
CID 82528297
[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol
CID 66436584
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxyphenyl)piperidin-4-amine;hydrochloride
CID 56799978
[5-bromo-1-(3-methoxyphenyl)pyrazol-4-yl]methanamine
CID 115051851

Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethyl)-1-(3-methoxyphenyl)pyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(difluoromethyl)-1-(3-methoxyphenyl)pyrazol-4-yl]methyl]cyclopropanamine (CID 114798945) is N-[[5-(difluoromethyl)-1-(3-methoxyphenyl)pyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(difluoromethyl)-1-(3-methoxyphenyl)pyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(difluoromethyl)-1-(3-methoxyphenyl)pyrazol-4-yl]methyl]cyclopropanamine is COc1cccc(-n2ncc(CNC3CC3)c2C(F)F)c1.
What is the InChIKey of N-[[5-(difluoromethyl)-1-(3-methoxyphenyl)pyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is FUFLXTBRVOZCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-21-13-4-2-3-12(7-13)20-14(15(16)17)10(9-19-20)8-18-11-5-6-11/h2-4,7,9,11,15,18H,5-6,8H2,1H3.
What are the key properties of N-[[5-(difluoromethyl)-1-(3-methoxyphenyl)pyrazol-4-yl]methyl]cyclopropanamine?
N-[[5-(difluoromethyl)-1-(3-methoxyphenyl)pyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 293.32 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(difluoromethyl)-1-(3-methoxyphenyl)pyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114798945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).