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

C10H13F2N5 — CID 78921490

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
SMILESCn1ccc(CNCc2nccn2C(F)F)n1
InChIInChI=1S/C10H13F2N5/c1-16-4-2-8(15-16)6-13-7-9-14-3-5-17(9)10(11)12/h2-5,10,13H,6-7H2,1H3
InChIKeyXTRQLTCSOADSBQ-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.30
Rot. Bonds5

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

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine (PubChem CID 78921490) 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-(1-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
PubChem CID78921490
Molecular FormulaC10H13F2N5
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
SMILESCn1ccc(CNCc2nccn2C(F)F)n1
InChIInChI=1S/C10H13F2N5/c1-16-4-2-8(15-16)6-13-7-9-14-3-5-17(9)10(11)12/h2-5,10,13H,6-7H2,1H3
InChIKeyXTRQLTCSOADSBQ-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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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
US11214565, Example D-49
CID 135374692
US11214565, Example D-27
CID 135375052
4-N-ethyl-2-N-[5-methyl-1-(3-pyrazol-1-ylcyclobutyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 140943532
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
6-N-[(2-ethylpyrazol-3-yl)methyl]-8,9-dimethylpurine-2,6-diamine
CID 52422233
4-N,4-N,6-trimethyl-2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 53537047
2-(4-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]ethanamine
CID 53614784
2-pyrazol-1-yl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]ethanamine
CID 53618590

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine (CID 78921490) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine is Cn1ccc(CNCc2nccn2C(F)F)n1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine?
The InChIKey is XTRQLTCSOADSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N5/c1-16-4-2-8(15-16)6-13-7-9-14-3-5-17(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-(1-methylpyrazol-3-yl)methanamine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1-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-(1-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 78921490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).