[1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methanamine

C15H18F2N4 — CID 146195331

IUPAC[1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methanamine
SMILESNCc1cnn(CC2CCCN2c2cc(F)cc(F)c2)c1
InChIInChI=1S/C15H18F2N4/c16-12-4-13(17)6-15(5-12)21-3-1-2-14(21)10-20-9-11(7-18)8-19-20/h4-6,8-9,14H,1-3,7,10,18H2
InChIKeyIGPAHAYIRGBCIC-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.29
Rot. Bonds4

About [1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methanamine

[1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methanamine (PubChem CID 146195331) 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]pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methanamine
PubChem CID146195331
Molecular FormulaC15H18F2N4
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Name[1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methanamine
SMILESNCc1cnn(CC2CCCN2c2cc(F)cc(F)c2)c1
InChIInChI=1S/C15H18F2N4/c16-12-4-13(17)6-15(5-12)21-3-1-2-14(21)10-20-9-11(7-18)8-19-20/h4-6,8-9,14H,1-3,7,10,18H2
InChIKeyIGPAHAYIRGBCIC-UHFFFAOYSA-N
XLogP2.29
TPSA47.08 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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methanamine?
The IUPAC name of [1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methanamine (CID 146195331) is [1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methanamine?
The canonical SMILES for [1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methanamine is NCc1cnn(CC2CCCN2c2cc(F)cc(F)c2)c1.
What is the InChIKey of [1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methanamine?
The InChIKey is IGPAHAYIRGBCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4/c16-12-4-13(17)6-15(5-12)21-3-1-2-14(21)10-20-9-11(7-18)8-19-20/h4-6,8-9,14H,1-3,7,10,18H2.
What are the key properties of [1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methanamine?
[1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methanamine has a molecular weight of 292.33 g/mol, XLogP of 2.29, 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]pyrazol-4-yl]methanamine is sourced from PubChem (CID 146195331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).