1-(3,4-difluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine

C14H17F2N3 — CID 103030412

IUPAC1-(3,4-difluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
SMILESCn1nccc1CCC(N)Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H17F2N3/c1-19-12(6-7-18-19)4-3-11(17)8-10-2-5-13(15)14(16)9-10/h2,5-7,9,11H,3-4,8,17H2,1H3
InChIKeyWAOIUBBNOULCCJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.20
Rot. Bonds5

About 1-(3,4-difluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine

1-(3,4-difluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine (PubChem CID 103030412) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
PubChem CID103030412
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-(3,4-difluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
SMILESCn1nccc1CCC(N)Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H17F2N3/c1-19-12(6-7-18-19)4-3-11(17)8-10-2-5-13(15)14(16)9-10/h2,5-7,9,11H,3-4,8,17H2,1H3
InChIKeyWAOIUBBNOULCCJ-UHFFFAOYSA-N
XLogP2.20
TPSA43.84 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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103008961
1-(3,4-difluorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103031007
4-(2-methylpyrazol-3-yl)-1-pyridin-3-ylbutan-2-amine
CID 103009787
1-(3,4-difluorophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105176047
1-(2-methylpyrazol-3-yl)pentan-3-amine
CID 64505334
3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 103009601
1-(3,4-difluorophenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103009150
4-(2-methylpyrazol-3-yl)-1-thiophen-2-ylbutan-2-amine
CID 103009775
1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030755
1-(2,6-difluoro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030616
4-(2-methylpyrazol-3-yl)-1-propan-2-ylsulfanylbutan-2-amine
CID 103010442
1-(4-methoxyphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030537

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine (CID 103030412) is 1-(3,4-difluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine is Cn1nccc1CCC(N)Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine?
The InChIKey is WAOIUBBNOULCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-19-12(6-7-18-19)4-3-11(17)8-10-2-5-13(15)14(16)9-10/h2,5-7,9,11H,3-4,8,17H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine?
1-(3,4-difluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine has a molecular weight of 265.31 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine is sourced from PubChem (CID 103030412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).