N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,5-dimethylpyrazol-3-amine

C10H13F2N5 — CID 113290172

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,5-dimethylpyrazol-3-amine
SMILESCc1cc(NCc2nccn2C(F)F)nn1C
InChIInChI=1S/C10H13F2N5/c1-7-5-8(15-16(7)2)14-6-9-13-3-4-17(9)10(11)12/h3-5,10H,6H2,1-2H3,(H,14,15)
InChIKeyMCFVBYUIWSDBOP-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.93
Rot. Bonds4

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,5-dimethylpyrazol-3-amine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,5-dimethylpyrazol-3-amine (PubChem CID 113290172) 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]-1,5-dimethylpyrazol-3-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,5-dimethylpyrazol-3-amine
PubChem CID113290172
Molecular FormulaC10H13F2N5
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,5-dimethylpyrazol-3-amine
SMILESCc1cc(NCc2nccn2C(F)F)nn1C
InChIInChI=1S/C10H13F2N5/c1-7-5-8(15-16(7)2)14-6-9-13-3-4-17(9)10(11)12/h3-5,10H,6H2,1-2H3,(H,14,15)
InChIKeyMCFVBYUIWSDBOP-UHFFFAOYSA-N
XLogP1.93
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-2,4-diamine
CID 145900911
2-N-[1-[2-(1,4-dimethylimidazol-2-yl)propan-2-yl]-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72190592
2-N-[1-[2-(1,5-dimethylimidazol-2-yl)propan-2-yl]-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72190593
US9932325, Example 14
CID 132244609
3-(1-methyl-1H-imidazol-2-yl)-1H-pyrazol-5-amine
CID 71685845
N-[(1-methyl-1H-imidazol-2-yl)methyl]-4-(1-methyl-1H-1,2,4-triazol-5-yl)pyrimidin-2-amine
CID 45190722
n-(2-(1h-Pyrazol-1-yl)ethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53532814
4-N,4-N,6-trimethyl-2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 53537047
2-pyrazol-1-yl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]ethanamine
CID 53618590
1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine
CID 56778224
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 92553785
2,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 122193829

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,5-dimethylpyrazol-3-amine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,5-dimethylpyrazol-3-amine (CID 113290172) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,5-dimethylpyrazol-3-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,5-dimethylpyrazol-3-amine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,5-dimethylpyrazol-3-amine is Cc1cc(NCc2nccn2C(F)F)nn1C.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,5-dimethylpyrazol-3-amine?
The InChIKey is MCFVBYUIWSDBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N5/c1-7-5-8(15-16(7)2)14-6-9-13-3-4-17(9)10(11)12/h3-5,10H,6H2,1-2H3,(H,14,15).
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,5-dimethylpyrazol-3-amine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,5-dimethylpyrazol-3-amine has a molecular weight of 241.25 g/mol, XLogP of 1.93, 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]-1,5-dimethylpyrazol-3-amine is sourced from PubChem (CID 113290172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).