1-(2-fluorophenyl)-5-methyl-N-[(1R)-1-(1-methylimidazol-2-yl)propyl]pyrazol-4-amine

C17H20FN5 — CID 99782030

IUPAC1-(2-fluorophenyl)-5-methyl-N-[(1R)-1-(1-methylimidazol-2-yl)propyl]pyrazol-4-amine
SMILESCC[C@@H](Nc1cnn(-c2ccccc2F)c1C)c1nccn1C
InChIInChI=1S/C17H20FN5/c1-4-14(17-19-9-10-22(17)3)21-15-11-20-23(12(15)2)16-8-6-5-7-13(16)18/h5-11,14,21H,4H2,1-3H3/t14-/m1/s1
InChIKeyGCDYBARXUBNECV-CQSZACIVSA-N
MW313.38 g/mol
LogP3.62
Rot. Bonds5

About 1-(2-fluorophenyl)-5-methyl-N-[(1R)-1-(1-methylimidazol-2-yl)propyl]pyrazol-4-amine

1-(2-fluorophenyl)-5-methyl-N-[(1R)-1-(1-methylimidazol-2-yl)propyl]pyrazol-4-amine (PubChem CID 99782030) has the molecular formula C17H20FN5 and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-methyl-N-[(1R)-1-(1-methylimidazol-2-yl)propyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-methyl-N-[(1R)-1-(1-methylimidazol-2-yl)propyl]pyrazol-4-amine
PubChem CID99782030
Molecular FormulaC17H20FN5
Molecular Weight313.38 g/mol
Exact Mass313.17
IUPAC Name1-(2-fluorophenyl)-5-methyl-N-[(1R)-1-(1-methylimidazol-2-yl)propyl]pyrazol-4-amine
SMILESCC[C@@H](Nc1cnn(-c2ccccc2F)c1C)c1nccn1C
InChIInChI=1S/C17H20FN5/c1-4-14(17-19-9-10-22(17)3)21-15-11-20-23(12(15)2)16-8-6-5-7-13(16)18/h5-11,14,21H,4H2,1-3H3/t14-/m1/s1
InChIKeyGCDYBARXUBNECV-CQSZACIVSA-N
XLogP3.62
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66440670
3-ethyl-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-hydroxyazetidine-1-carboxamide
CID 154735938
2-[1-(2,6-difluorophenyl)ethyl]-1-methylimidazole
CID 70942543
N-methyl-1-(1-methylimidazol-2-yl)-2-phenylethanamine
CID 63976862
N-[2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63974962
2-methyl-N-[1-(1-methylimidazol-2-yl)propyl]propan-1-amine
CID 115900547
N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5-nitropyridin-2-amine
CID 133387431
N-ethyl-5-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine
CID 82528402
N-ethyl-1-(1-methylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethanamine
CID 66097173
1-methyl-2-(1-phenylpropyl)imidazole
CID 67056293
4-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]carbamoylamino]butanoic acid
CID 122087341
N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133387437

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-methyl-N-[(1R)-1-(1-methylimidazol-2-yl)propyl]pyrazol-4-amine?
The IUPAC name of 1-(2-fluorophenyl)-5-methyl-N-[(1R)-1-(1-methylimidazol-2-yl)propyl]pyrazol-4-amine (CID 99782030) is 1-(2-fluorophenyl)-5-methyl-N-[(1R)-1-(1-methylimidazol-2-yl)propyl]pyrazol-4-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-5-methyl-N-[(1R)-1-(1-methylimidazol-2-yl)propyl]pyrazol-4-amine?
The canonical SMILES for 1-(2-fluorophenyl)-5-methyl-N-[(1R)-1-(1-methylimidazol-2-yl)propyl]pyrazol-4-amine is CC[C@@H](Nc1cnn(-c2ccccc2F)c1C)c1nccn1C.
What is the InChIKey of 1-(2-fluorophenyl)-5-methyl-N-[(1R)-1-(1-methylimidazol-2-yl)propyl]pyrazol-4-amine?
The InChIKey is GCDYBARXUBNECV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20FN5/c1-4-14(17-19-9-10-22(17)3)21-15-11-20-23(12(15)2)16-8-6-5-7-13(16)18/h5-11,14,21H,4H2,1-3H3/t14-/m1/s1.
What are the key properties of 1-(2-fluorophenyl)-5-methyl-N-[(1R)-1-(1-methylimidazol-2-yl)propyl]pyrazol-4-amine?
1-(2-fluorophenyl)-5-methyl-N-[(1R)-1-(1-methylimidazol-2-yl)propyl]pyrazol-4-amine has a molecular weight of 313.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-methyl-N-[(1R)-1-(1-methylimidazol-2-yl)propyl]pyrazol-4-amine is sourced from PubChem (CID 99782030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).