N-[[4-(difluoromethoxy)phenyl]-(1-methylpyrazol-4-yl)methyl]propan-1-amine

C15H19F2N3O — CID 43497242

IUPACN-[[4-(difluoromethoxy)phenyl]-(1-methylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC(F)F)cc1)c1cnn(C)c1
InChIInChI=1S/C15H19F2N3O/c1-3-8-18-14(12-9-19-20(2)10-12)11-4-6-13(7-5-11)21-15(16)17/h4-7,9-10,14-15,18H,3,8H2,1-2H3
InChIKeyRYZDBEXTDVWCGU-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.11
Rot. Bonds7

About N-[[4-(difluoromethoxy)phenyl]-(1-methylpyrazol-4-yl)methyl]propan-1-amine

N-[[4-(difluoromethoxy)phenyl]-(1-methylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 43497242) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]-(1-methylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]-(1-methylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID43497242
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC NameN-[[4-(difluoromethoxy)phenyl]-(1-methylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC(F)F)cc1)c1cnn(C)c1
InChIInChI=1S/C15H19F2N3O/c1-3-8-18-14(12-9-19-20(2)10-12)11-4-6-13(7-5-11)21-15(16)17/h4-7,9-10,14-15,18H,3,8H2,1-2H3
InChIKeyRYZDBEXTDVWCGU-UHFFFAOYSA-N
XLogP3.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(difluoromethoxy)phenyl]-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497241
N-[(4-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 114519486
[[4-(difluoromethoxy)phenyl]-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288522
N-[(3-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497323
1-(4-methoxyphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485945
N-[(5-bromo-3-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497258
N-[(2-bromophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497333
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
3-[(1-methylpyrazol-4-yl)-(propylamino)methyl]pyridin-4-amine
CID 65200715
3-(2,2-difluoroethoxy)-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103149818
N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 43497243
N-[(3-ethyl-2-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 82740765

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]-(1-methylpyrazol-4-yl)methyl]propan-1-amine (CID 43497242) is N-[[4-(difluoromethoxy)phenyl]-(1-methylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]-(1-methylpyrazol-4-yl)methyl]propan-1-amine is CCCNC(c1ccc(OC(F)F)cc1)c1cnn(C)c1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is RYZDBEXTDVWCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c1-3-8-18-14(12-9-19-20(2)10-12)11-4-6-13(7-5-11)21-15(16)17/h4-7,9-10,14-15,18H,3,8H2,1-2H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
N-[[4-(difluoromethoxy)phenyl]-(1-methylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 295.33 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]-(1-methylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 43497242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).