1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]-N-methylpyrazol-4-amine

C15H18F2N4 — CID 175103231

IUPAC1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]-N-methylpyrazol-4-amine
SMILESCNc1cnn(CC2CCCN2c2cc(F)cc(F)c2)c1
InChIInChI=1S/C15H18F2N4/c1-18-13-8-19-20(9-13)10-14-3-2-4-21(14)15-6-11(16)5-12(17)7-15/h5-9,14,18H,2-4,10H2,1H3
InChIKeySHDGLIDISNXTTK-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.87
Rot. Bonds4

About 1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]-N-methylpyrazol-4-amine

1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]-N-methylpyrazol-4-amine (PubChem CID 175103231) has the molecular formula C15H18F2N4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]-N-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]-N-methylpyrazol-4-amine
PubChem CID175103231
Molecular FormulaC15H18F2N4
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Name1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]-N-methylpyrazol-4-amine
SMILESCNc1cnn(CC2CCCN2c2cc(F)cc(F)c2)c1
InChIInChI=1S/C15H18F2N4/c1-18-13-8-19-20(9-13)10-14-3-2-4-21(14)15-6-11(16)5-12(17)7-15/h5-9,14,18H,2-4,10H2,1H3
InChIKeySHDGLIDISNXTTK-UHFFFAOYSA-N
XLogP2.87
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]-N-methylpyrazol-4-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

[1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methanamine
CID 146195331
tert-butyl N-[[1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methyl]carbamate
CID 146203721
2-[[1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one
CID 153355641
1-[1-(3-fluoro-5-nitrophenyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 113285358
1-[(2,4-difluorophenyl)methyl]-N-methylpyrazol-4-amine
CID 175351355
N,N,6-trimethyl-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 95599919
[(2R)-1-(3-fluorophenyl)pyrrolidin-2-yl]methanol
CID 173099689
[(2S)-1-[3-[4-[[(2R)-butan-2-yl]amino]imidazol-1-yl]-5-fluorophenyl]pyrrolidin-2-yl]methanol
CID 163500809
3-fluoro-5-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzonitrile
CID 102819045
N,N'-bis[[(2R)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-yl]methyl]oxamide
CID 166324317
1-[3-(chloromethyl)-5-fluorophenyl]-2-ethylazepane
CID 106530530
1-[1-[5-(methylamino)-3-pyridinyl]piperidin-2-yl]propan-2-ol
CID 112748835

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]-N-methylpyrazol-4-amine?
The IUPAC name of 1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]-N-methylpyrazol-4-amine (CID 175103231) is 1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]-N-methylpyrazol-4-amine.
What is the SMILES notation for 1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]-N-methylpyrazol-4-amine?
The canonical SMILES for 1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]-N-methylpyrazol-4-amine is CNc1cnn(CC2CCCN2c2cc(F)cc(F)c2)c1.
What is the InChIKey of 1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]-N-methylpyrazol-4-amine?
The InChIKey is SHDGLIDISNXTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4/c1-18-13-8-19-20(9-13)10-14-3-2-4-21(14)15-6-11(16)5-12(17)7-15/h5-9,14,18H,2-4,10H2,1H3.
What are the key properties of 1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]-N-methylpyrazol-4-amine?
1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]-N-methylpyrazol-4-amine has a molecular weight of 292.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]-N-methylpyrazol-4-amine is sourced from PubChem (CID 175103231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).