N-[(2R)-1-(3,4-difluorophenoxy)propan-2-yl]-1-propylpyrazol-4-amine

C15H19F2N3O — CID 97338534

IUPACN-[(2R)-1-(3,4-difluorophenoxy)propan-2-yl]-1-propylpyrazol-4-amine
SMILESCCCn1cc(N[C@H](C)COc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C15H19F2N3O/c1-3-6-20-9-12(8-18-20)19-11(2)10-21-13-4-5-14(16)15(17)7-13/h4-5,7-9,11,19H,3,6,10H2,1-2H3/t11-/m1/s1
InChIKeySCHJNWIDTUVSHX-LLVKDONJSA-N
MW295.33 g/mol
LogP3.45
Rot. Bonds7

About N-[(2R)-1-(3,4-difluorophenoxy)propan-2-yl]-1-propylpyrazol-4-amine

N-[(2R)-1-(3,4-difluorophenoxy)propan-2-yl]-1-propylpyrazol-4-amine (PubChem CID 97338534) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is N-[(2R)-1-(3,4-difluorophenoxy)propan-2-yl]-1-propylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(2R)-1-(3,4-difluorophenoxy)propan-2-yl]-1-propylpyrazol-4-amine
PubChem CID97338534
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC NameN-[(2R)-1-(3,4-difluorophenoxy)propan-2-yl]-1-propylpyrazol-4-amine
SMILESCCCn1cc(N[C@H](C)COc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C15H19F2N3O/c1-3-6-20-9-12(8-18-20)19-11(2)10-21-13-4-5-14(16)15(17)7-13/h4-5,7-9,11,19H,3,6,10H2,1-2H3/t11-/m1/s1
InChIKeySCHJNWIDTUVSHX-LLVKDONJSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-methoxypropan-2-yl]-1-propylpyrazol-4-amine
CID 97338513
N-pentan-2-yl-1-propylpyrazol-4-amine
CID 115921377
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-propylpyrazol-4-amine
CID 99825558
N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-propylpyrazol-4-amine
CID 97338512
1-propyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrazol-4-amine
CID 97309859
N-(1-cyclopropylpropan-2-yl)-1-propylpyrazol-4-amine
CID 115921375
1-propyl-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]pyrazol-4-amine
CID 97342085
N-(1-cyclobutylpropan-2-yl)-1-propylpyrazol-4-amine
CID 115921376
2-(4-chlorophenoxy)-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 105103537
3-(2-methylpropoxy)-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103720534
2-[4-(butan-2-ylamino)pyrazol-1-yl]ethanol
CID 115922691
N-[1-(3,4-difluorophenoxy)propan-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 75472465

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3,4-difluorophenoxy)propan-2-yl]-1-propylpyrazol-4-amine?
The IUPAC name of N-[(2R)-1-(3,4-difluorophenoxy)propan-2-yl]-1-propylpyrazol-4-amine (CID 97338534) is N-[(2R)-1-(3,4-difluorophenoxy)propan-2-yl]-1-propylpyrazol-4-amine.
What is the SMILES notation for N-[(2R)-1-(3,4-difluorophenoxy)propan-2-yl]-1-propylpyrazol-4-amine?
The canonical SMILES for N-[(2R)-1-(3,4-difluorophenoxy)propan-2-yl]-1-propylpyrazol-4-amine is CCCn1cc(N[C@H](C)COc2ccc(F)c(F)c2)cn1.
What is the InChIKey of N-[(2R)-1-(3,4-difluorophenoxy)propan-2-yl]-1-propylpyrazol-4-amine?
The InChIKey is SCHJNWIDTUVSHX-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19F2N3O/c1-3-6-20-9-12(8-18-20)19-11(2)10-21-13-4-5-14(16)15(17)7-13/h4-5,7-9,11,19H,3,6,10H2,1-2H3/t11-/m1/s1.
What are the key properties of N-[(2R)-1-(3,4-difluorophenoxy)propan-2-yl]-1-propylpyrazol-4-amine?
N-[(2R)-1-(3,4-difluorophenoxy)propan-2-yl]-1-propylpyrazol-4-amine has a molecular weight of 295.33 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3,4-difluorophenoxy)propan-2-yl]-1-propylpyrazol-4-amine is sourced from PubChem (CID 97338534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).