N-[(3,4-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine

C15H19F2N3 — CID 105145523

IUPACN-[(3,4-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(F)c1)c1cnn(C)c1C
InChIInChI=1S/C15H19F2N3/c1-4-7-18-15(12-9-19-20(3)10(12)2)11-5-6-13(16)14(17)8-11/h5-6,8-9,15,18H,4,7H2,1-3H3
InChIKeyMHCKPRAUCZERSW-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.10
Rot. Bonds5

About N-[(3,4-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine

N-[(3,4-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 105145523) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID105145523
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC NameN-[(3,4-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(F)c1)c1cnn(C)c1C
InChIInChI=1S/C15H19F2N3/c1-4-7-18-15(12-9-19-20(3)10(12)2)11-5-6-13(16)14(17)8-11/h5-6,8-9,15,18H,4,7H2,1-3H3
InChIKeyMHCKPRAUCZERSW-UHFFFAOYSA-N
XLogP3.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 105102033
N-[(1,5-dimethylpyrazol-4-yl)-(3-propylphenyl)methyl]propan-1-amine
CID 105187854
N-[(1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105148542
N-[(1,5-dimethylpyrazol-4-yl)-(5-ethoxy-3-pyridinyl)methyl]propan-1-amine
CID 105175445
N-[(3,4-difluorophenyl)-phenylmethyl]propan-1-amine
CID 43494885
N-[2-(3-bromo-4-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105111304
N-[(3,4-difluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 43496515
N-[(1,5-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 79584851
N-[(3-fluoro-4-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 66270988
1-(3,4-difluorophenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propan-1-ol
CID 110011198
1-(1,5-dimethylpyrazol-4-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291427
N-[(1,5-dimethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 105142484

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,4-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine (CID 105145523) is N-[(3,4-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine is CCCNC(c1ccc(F)c(F)c1)c1cnn(C)c1C.
What is the InChIKey of N-[(3,4-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is MHCKPRAUCZERSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3/c1-4-7-18-15(12-9-19-20(3)10(12)2)11-5-6-13(16)14(17)8-11/h5-6,8-9,15,18H,4,7H2,1-3H3.
What are the key properties of N-[(3,4-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine?
N-[(3,4-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 279.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 105145523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).