N-[[1-(2,2-difluoroethyl)imidazol-2-yl]methyl]-5-ethyl-1-(2-methylphenyl)pyrazol-4-amine

C18H21F2N5 — CID 154785406

IUPACN-[[1-(2,2-difluoroethyl)imidazol-2-yl]methyl]-5-ethyl-1-(2-methylphenyl)pyrazol-4-amine
SMILESCCc1c(NCc2nccn2CC(F)F)cnn1-c1ccccc1C
InChIInChI=1S/C18H21F2N5/c1-3-15-14(10-23-25(15)16-7-5-4-6-13(16)2)22-11-18-21-8-9-24(18)12-17(19)20/h4-10,17,22H,3,11-12H2,1-2H3
InChIKeyABOAHHGKTIUBPS-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.82
Rot. Bonds7

About N-[[1-(2,2-difluoroethyl)imidazol-2-yl]methyl]-5-ethyl-1-(2-methylphenyl)pyrazol-4-amine

N-[[1-(2,2-difluoroethyl)imidazol-2-yl]methyl]-5-ethyl-1-(2-methylphenyl)pyrazol-4-amine (PubChem CID 154785406) has the molecular formula C18H21F2N5 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[[1-(2,2-difluoroethyl)imidazol-2-yl]methyl]-5-ethyl-1-(2-methylphenyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[[1-(2,2-difluoroethyl)imidazol-2-yl]methyl]-5-ethyl-1-(2-methylphenyl)pyrazol-4-amine
PubChem CID154785406
Molecular FormulaC18H21F2N5
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-[[1-(2,2-difluoroethyl)imidazol-2-yl]methyl]-5-ethyl-1-(2-methylphenyl)pyrazol-4-amine
SMILESCCc1c(NCc2nccn2CC(F)F)cnn1-c1ccccc1C
InChIInChI=1S/C18H21F2N5/c1-3-15-14(10-23-25(15)16-7-5-4-6-13(16)2)22-11-18-21-8-9-24(18)12-17(19)20/h4-10,17,22H,3,11-12H2,1-2H3
InChIKeyABOAHHGKTIUBPS-UHFFFAOYSA-N
XLogP3.82
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 66441481
1-[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]-3-(1H-pyrazol-5-yl)urea
CID 119049281
2-(2-ethylimidazol-1-yl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide
CID 97149895
N-[(1-ethylimidazol-2-yl)methyl]-2-imidazol-1-ylaniline
CID 62355714
[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methanamine
CID 66441482
N-[(1-ethylimidazol-2-yl)methyl]-2-methylpyridin-3-amine
CID 79041847
N-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 62357772
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethylaniline
CID 43112046
5-[(1-benzylimidazol-2-yl)methylamino]-4-chloro-2-methylpyridazin-3-one
CID 133324149
2-(2-ethylimidazol-1-yl)-1-(2-methylphenyl)ethanamine
CID 61402571
N-[[5-ethyl-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66442082
N-cyclopropyl-5-ethyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 42818270

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-difluoroethyl)imidazol-2-yl]methyl]-5-ethyl-1-(2-methylphenyl)pyrazol-4-amine?
The IUPAC name of N-[[1-(2,2-difluoroethyl)imidazol-2-yl]methyl]-5-ethyl-1-(2-methylphenyl)pyrazol-4-amine (CID 154785406) is N-[[1-(2,2-difluoroethyl)imidazol-2-yl]methyl]-5-ethyl-1-(2-methylphenyl)pyrazol-4-amine.
What is the SMILES notation for N-[[1-(2,2-difluoroethyl)imidazol-2-yl]methyl]-5-ethyl-1-(2-methylphenyl)pyrazol-4-amine?
The canonical SMILES for N-[[1-(2,2-difluoroethyl)imidazol-2-yl]methyl]-5-ethyl-1-(2-methylphenyl)pyrazol-4-amine is CCc1c(NCc2nccn2CC(F)F)cnn1-c1ccccc1C.
What is the InChIKey of N-[[1-(2,2-difluoroethyl)imidazol-2-yl]methyl]-5-ethyl-1-(2-methylphenyl)pyrazol-4-amine?
The InChIKey is ABOAHHGKTIUBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N5/c1-3-15-14(10-23-25(15)16-7-5-4-6-13(16)2)22-11-18-21-8-9-24(18)12-17(19)20/h4-10,17,22H,3,11-12H2,1-2H3.
What are the key properties of N-[[1-(2,2-difluoroethyl)imidazol-2-yl]methyl]-5-ethyl-1-(2-methylphenyl)pyrazol-4-amine?
N-[[1-(2,2-difluoroethyl)imidazol-2-yl]methyl]-5-ethyl-1-(2-methylphenyl)pyrazol-4-amine has a molecular weight of 345.40 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-difluoroethyl)imidazol-2-yl]methyl]-5-ethyl-1-(2-methylphenyl)pyrazol-4-amine is sourced from PubChem (CID 154785406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).