N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine

C10H13F2N5 — CID 63002089

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine
SMILESCn1nccc1CNCc1nccn1C(F)F
InChIInChI=1S/C10H13F2N5/c1-16-8(2-3-15-16)6-13-7-9-14-4-5-17(9)10(11)12/h2-5,10,13H,6-7H2,1H3
InChIKeyCXDGZGLDBYCBTJ-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.30
Rot. Bonds5

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine (PubChem CID 63002089) has the molecular formula C10H13F2N5 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine
PubChem CID63002089
Molecular FormulaC10H13F2N5
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine
SMILESCn1nccc1CNCc1nccn1C(F)F
InChIInChI=1S/C10H13F2N5/c1-16-8(2-3-15-16)6-13-7-9-14-4-5-17(9)10(11)12/h2-5,10,13H,6-7H2,1H3
InChIKeyCXDGZGLDBYCBTJ-UHFFFAOYSA-N
XLogP1.30
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.30
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-(2-methylpyrazol-3-yl)methanamine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine (CID 63002089) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine is Cn1nccc1CNCc1nccn1C(F)F.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine?
The InChIKey is CXDGZGLDBYCBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N5/c1-16-8(2-3-15-16)6-13-7-9-14-4-5-17(9)10(11)12/h2-5,10,13H,6-7H2,1H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine has a molecular weight of 241.25 g/mol, XLogP of 1.30, 5 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-(2-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 63002089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).