N-[1-(2,6-difluorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine

C14H17F2N3 — CID 55130668

IUPACN-[1-(2,6-difluorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
SMILESCC(Nc1cnn(C(C)C)c1)c1c(F)cccc1F
InChIInChI=1S/C14H17F2N3/c1-9(2)19-8-11(7-17-19)18-10(3)14-12(15)5-4-6-13(14)16/h4-10,18H,1-3H3
InChIKeyKDGMPSSZENJBMN-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.92
Rot. Bonds4

About N-[1-(2,6-difluorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine

N-[1-(2,6-difluorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine (PubChem CID 55130668) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
PubChem CID55130668
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
SMILESCC(Nc1cnn(C(C)C)c1)c1c(F)cccc1F
InChIInChI=1S/C14H17F2N3/c1-9(2)19-8-11(7-17-19)18-10(3)14-12(15)5-4-6-13(14)16/h4-10,18H,1-3H3
InChIKeyKDGMPSSZENJBMN-UHFFFAOYSA-N
XLogP3.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 83119610
N-[1-(3-chlorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 62903529
N-[1-(4-methylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 62902276
1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]-N-methylethanamine
CID 116801808
N-[1-(4-tert-butylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 62904585
1-propan-2-yl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazol-4-amine
CID 75507091
1-propan-2-yl-N-[1-(4-propylphenyl)ethyl]pyrazol-4-amine
CID 62903879
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 62904419
3-fluoro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide
CID 138034343
N-[1-(2,6-difluorophenyl)ethyl]-4-methylsulfanylaniline
CID 43192263
1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116801761
N-[1-(2,4-dimethoxyphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 62903700

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine (CID 55130668) is N-[1-(2,6-difluorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine is CC(Nc1cnn(C(C)C)c1)c1c(F)cccc1F.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine?
The InChIKey is KDGMPSSZENJBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-9(2)19-8-11(7-17-19)18-10(3)14-12(15)5-4-6-13(14)16/h4-10,18H,1-3H3.
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine?
N-[1-(2,6-difluorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine has a molecular weight of 265.31 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 55130668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).