N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylpyrazol-4-amine

C9H11F2N5 — CID 78998227

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylpyrazol-4-amine
SMILESCn1cc(NCc2nccn2C(F)F)cn1
InChIInChI=1S/C9H11F2N5/c1-15-6-7(4-14-15)13-5-8-12-2-3-16(8)9(10)11/h2-4,6,9,13H,5H2,1H3
InChIKeyHAXQTRZJVKLJTA-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.62
Rot. Bonds4

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylpyrazol-4-amine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylpyrazol-4-amine (PubChem CID 78998227) has the molecular formula C9H11F2N5 and a molecular weight of 227.22 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylpyrazol-4-amine
PubChem CID78998227
Molecular FormulaC9H11F2N5
Molecular Weight227.22 g/mol
Exact Mass227.10
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylpyrazol-4-amine
SMILESCn1cc(NCc2nccn2C(F)F)cn1
InChIInChI=1S/C9H11F2N5/c1-15-6-7(4-14-15)13-5-8-12-2-3-16(8)9(10)11/h2-4,6,9,13H,5H2,1H3
InChIKeyHAXQTRZJVKLJTA-UHFFFAOYSA-N
XLogP1.62
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylpyrazol-4-amine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylpyrazol-4-amine (CID 78998227) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylpyrazol-4-amine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylpyrazol-4-amine is Cn1cc(NCc2nccn2C(F)F)cn1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylpyrazol-4-amine?
The InChIKey is HAXQTRZJVKLJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N5/c1-15-6-7(4-14-15)13-5-8-12-2-3-16(8)9(10)11/h2-4,6,9,13H,5H2,1H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylpyrazol-4-amine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylpyrazol-4-amine has a molecular weight of 227.22 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 78998227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).