4-[[[(3R)-1-(2-fluoro-6-methylphenyl)pyrrolidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine

C16H22FN5 — CID 166058243

IUPAC4-[[[(3R)-1-(2-fluoro-6-methylphenyl)pyrrolidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine
SMILESCc1cccc(F)c1N1CC[C@@H](NCc2cn(C)nc2N)C1
InChIInChI=1S/C16H22FN5/c1-11-4-3-5-14(17)15(11)22-7-6-13(10-22)19-8-12-9-21(2)20-16(12)18/h3-5,9,13,19H,6-8,10H2,1-2H3,(H2,18,20)/t13-/m1/s1
InChIKeyYVUPZYWDZLQKJG-CYBMUJFWSA-N
MW303.38 g/mol
LogP1.82
Rot. Bonds4

About 4-[[[(3R)-1-(2-fluoro-6-methylphenyl)pyrrolidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine

4-[[[(3R)-1-(2-fluoro-6-methylphenyl)pyrrolidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine (PubChem CID 166058243) has the molecular formula C16H22FN5 and a molecular weight of 303.38 g/mol. Its IUPAC name is 4-[[[(3R)-1-(2-fluoro-6-methylphenyl)pyrrolidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name4-[[[(3R)-1-(2-fluoro-6-methylphenyl)pyrrolidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine
PubChem CID166058243
Molecular FormulaC16H22FN5
Molecular Weight303.38 g/mol
Exact Mass303.19
IUPAC Name4-[[[(3R)-1-(2-fluoro-6-methylphenyl)pyrrolidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine
SMILESCc1cccc(F)c1N1CC[C@@H](NCc2cn(C)nc2N)C1
InChIInChI=1S/C16H22FN5/c1-11-4-3-5-14(17)15(11)22-7-6-13(10-22)19-8-12-9-21(2)20-16(12)18/h3-5,9,13,19H,6-8,10H2,1-2H3,(H2,18,20)/t13-/m1/s1
InChIKeyYVUPZYWDZLQKJG-CYBMUJFWSA-N
XLogP1.82
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[[(3R)-1-(2-fluoro-6-methylphenyl)pyrrolidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine?
The IUPAC name of 4-[[[(3R)-1-(2-fluoro-6-methylphenyl)pyrrolidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine (CID 166058243) is 4-[[[(3R)-1-(2-fluoro-6-methylphenyl)pyrrolidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine.
What is the SMILES notation for 4-[[[(3R)-1-(2-fluoro-6-methylphenyl)pyrrolidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine?
The canonical SMILES for 4-[[[(3R)-1-(2-fluoro-6-methylphenyl)pyrrolidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine is Cc1cccc(F)c1N1CC[C@@H](NCc2cn(C)nc2N)C1.
What is the InChIKey of 4-[[[(3R)-1-(2-fluoro-6-methylphenyl)pyrrolidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine?
The InChIKey is YVUPZYWDZLQKJG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22FN5/c1-11-4-3-5-14(17)15(11)22-7-6-13(10-22)19-8-12-9-21(2)20-16(12)18/h3-5,9,13,19H,6-8,10H2,1-2H3,(H2,18,20)/t13-/m1/s1.
What are the key properties of 4-[[[(3R)-1-(2-fluoro-6-methylphenyl)pyrrolidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine?
4-[[[(3R)-1-(2-fluoro-6-methylphenyl)pyrrolidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine has a molecular weight of 303.38 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(3R)-1-(2-fluoro-6-methylphenyl)pyrrolidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 166058243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).