N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1,4-dimethylpyrazol-5-amine

C12H17F2N5 — CID 122167787

IUPACN-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1,4-dimethylpyrazol-5-amine
SMILESCc1cnn(C)c1NCc1cnn(CC(F)F)c1C
InChIInChI=1S/C12H17F2N5/c1-8-4-16-18(3)12(8)15-5-10-6-17-19(9(10)2)7-11(13)14/h4,6,11,15H,5,7H2,1-3H3
InChIKeyVCORWIXTGFQANG-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.11
Rot. Bonds5

About N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1,4-dimethylpyrazol-5-amine

N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1,4-dimethylpyrazol-5-amine (PubChem CID 122167787) has the molecular formula C12H17F2N5 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1,4-dimethylpyrazol-5-amine.

Molecular Properties

Compound NameN-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1,4-dimethylpyrazol-5-amine
PubChem CID122167787
Molecular FormulaC12H17F2N5
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC NameN-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1,4-dimethylpyrazol-5-amine
SMILESCc1cnn(C)c1NCc1cnn(CC(F)F)c1C
InChIInChI=1S/C12H17F2N5/c1-8-4-16-18(3)12(8)15-5-10-6-17-19(9(10)2)7-11(13)14/h4,6,11,15H,5,7H2,1-3H3
InChIKeyVCORWIXTGFQANG-UHFFFAOYSA-N
XLogP2.11
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1,4-dimethylpyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 122167804
N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride
CID 126967623
2-[3-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride
CID 126967551
4-[[(1,4-dimethylpyrazol-5-yl)amino]methyl]benzene-1,3-diol;hydrochloride
CID 126965069
N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1-(5-fluorothiophen-2-yl)methanamine
CID 122165826
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-dimethylpyrazol-5-amine;hydrochloride
CID 126965497
1-(2,2-difluoroethyl)-5-methyl-4-propan-2-ylpyrazole
CID 166499981
N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride
CID 126967207
1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]methanamine
CID 122169167
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 19619060
4-[[[1-(2-fluoroethyl)-4-methylpyrazol-5-yl]amino]methyl]benzene-1,3-diol;hydrochloride
CID 126968314
N-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-5-amine
CID 122168272

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1,4-dimethylpyrazol-5-amine?
The IUPAC name of N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1,4-dimethylpyrazol-5-amine (CID 122167787) is N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1,4-dimethylpyrazol-5-amine.
What is the SMILES notation for N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1,4-dimethylpyrazol-5-amine?
The canonical SMILES for N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1,4-dimethylpyrazol-5-amine is Cc1cnn(C)c1NCc1cnn(CC(F)F)c1C.
What is the InChIKey of N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1,4-dimethylpyrazol-5-amine?
The InChIKey is VCORWIXTGFQANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N5/c1-8-4-16-18(3)12(8)15-5-10-6-17-19(9(10)2)7-11(13)14/h4,6,11,15H,5,7H2,1-3H3.
What are the key properties of N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1,4-dimethylpyrazol-5-amine?
N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1,4-dimethylpyrazol-5-amine has a molecular weight of 269.30 g/mol, XLogP of 2.11, 5 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)-5-methylpyrazol-4-yl]methyl]-1,4-dimethylpyrazol-5-amine is sourced from PubChem (CID 122167787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).