5-(furan-2-yl)-1-methyl-3-(trifluoromethyl)pyrazol-4-amine

C9H8F3N3O — CID 155894714

IUPAC5-(furan-2-yl)-1-methyl-3-(trifluoromethyl)pyrazol-4-amine
SMILESCn1nc(C(F)(F)F)c(N)c1-c1ccco1
InChIInChI=1S/C9H8F3N3O/c1-15-7(5-3-2-4-16-5)6(13)8(14-15)9(10,11)12/h2-4H,13H2,1H3
InChIKeyRCFVLNGUYNCPSK-UHFFFAOYSA-N
MW231.18 g/mol
LogP2.28
Rot. Bonds1

About 5-(furan-2-yl)-1-methyl-3-(trifluoromethyl)pyrazol-4-amine

5-(furan-2-yl)-1-methyl-3-(trifluoromethyl)pyrazol-4-amine (PubChem CID 155894714) has the molecular formula C9H8F3N3O and a molecular weight of 231.18 g/mol. Its IUPAC name is 5-(furan-2-yl)-1-methyl-3-(trifluoromethyl)pyrazol-4-amine.

Molecular Properties

Compound Name5-(furan-2-yl)-1-methyl-3-(trifluoromethyl)pyrazol-4-amine
PubChem CID155894714
Molecular FormulaC9H8F3N3O
Molecular Weight231.18 g/mol
Exact Mass231.06
IUPAC Name5-(furan-2-yl)-1-methyl-3-(trifluoromethyl)pyrazol-4-amine
SMILESCn1nc(C(F)(F)F)c(N)c1-c1ccco1
InChIInChI=1S/C9H8F3N3O/c1-15-7(5-3-2-4-16-5)6(13)8(14-15)9(10,11)12/h2-4H,13H2,1H3
InChIKeyRCFVLNGUYNCPSK-UHFFFAOYSA-N
XLogP2.28
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Furan-2-yl)-3-methyl-1-phenylpyrazole
CID 708752
5-(2-furyl)-1-(4-methoxy-phenyl)-3-(trifluoromethyl)-1H-pyrazole
CID 22240519
2-[5-(Furan-2-yl)-3-methylpyrazol-1-yl]acetic acid
CID 3245759
N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
CID 5307834
5-(Furan-2-yl)-1-methyl-4-nitroso-3-(trifluoromethyl)pyrazole
CID 162663903
5-(Furan-2-yl)-1-methyl-1H-pyrazole-3-carbaldehyde
CID 18525801
N-[2-(dimethylamino)ethyl]-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
CID 5308038
Cyanoimino-[3-(furan-2-yl)-1,5-dimethylpyrazol-4-yl]-oxidoazanium
CID 53248733
5-(Furan-2-yl)-3-[(sulfamoylamino)methyl]-1-(2,2,2-trifluoroethyl)pyrazole
CID 118741312
1-[[5-(Furan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-3-propan-2-ylurea
CID 118741328
1H-Pyrazole, 3-(2-furanyl)-1-phenyl-5-(trifluoromethyl)-
CID 11011312
1-Phenyl-3-trifluoromethyl-5-(2-furyl)-1H-pyrazole
CID 57780362

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1-methyl-3-(trifluoromethyl)pyrazol-4-amine?
The IUPAC name of 5-(furan-2-yl)-1-methyl-3-(trifluoromethyl)pyrazol-4-amine (CID 155894714) is 5-(furan-2-yl)-1-methyl-3-(trifluoromethyl)pyrazol-4-amine.
What is the SMILES notation for 5-(furan-2-yl)-1-methyl-3-(trifluoromethyl)pyrazol-4-amine?
The canonical SMILES for 5-(furan-2-yl)-1-methyl-3-(trifluoromethyl)pyrazol-4-amine is Cn1nc(C(F)(F)F)c(N)c1-c1ccco1.
What is the InChIKey of 5-(furan-2-yl)-1-methyl-3-(trifluoromethyl)pyrazol-4-amine?
The InChIKey is RCFVLNGUYNCPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O/c1-15-7(5-3-2-4-16-5)6(13)8(14-15)9(10,11)12/h2-4H,13H2,1H3.
What are the key properties of 5-(furan-2-yl)-1-methyl-3-(trifluoromethyl)pyrazol-4-amine?
5-(furan-2-yl)-1-methyl-3-(trifluoromethyl)pyrazol-4-amine has a molecular weight of 231.18 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1-methyl-3-(trifluoromethyl)pyrazol-4-amine is sourced from PubChem (CID 155894714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).