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

C16H20F2N4 — CID 120966633

IUPAC[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-5-methylpyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)CN1Cc1ccn(-c2ccc(F)cc2F)n1
InChIInChI=1S/C16H20F2N4/c1-11-6-12(8-19)9-21(11)10-14-4-5-22(20-14)16-3-2-13(17)7-15(16)18/h2-5,7,11-12H,6,8-10,19H2,1H3
InChIKeyPOKHTUZRAMKFMR-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.32
Rot. Bonds4

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

[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-5-methylpyrrolidin-3-yl]methanamine (PubChem CID 120966633) has the molecular formula C16H20F2N4 and a molecular weight of 306.36 g/mol. Its IUPAC name is [1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-5-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-5-methylpyrrolidin-3-yl]methanamine
PubChem CID120966633
Molecular FormulaC16H20F2N4
Molecular Weight306.36 g/mol
Exact Mass306.17
IUPAC Name[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-5-methylpyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)CN1Cc1ccn(-c2ccc(F)cc2F)n1
InChIInChI=1S/C16H20F2N4/c1-11-6-12(8-19)9-21(11)10-14-4-5-22(20-14)16-3-2-13(17)7-15(16)18/h2-5,7,11-12H,6,8-10,19H2,1H3
InChIKeyPOKHTUZRAMKFMR-UHFFFAOYSA-N
XLogP2.32
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-5-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-5-methylpyrrolidin-3-yl]methanamine (CID 120966633) is [1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-5-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-5-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-5-methylpyrrolidin-3-yl]methanamine is CC1CC(CN)CN1Cc1ccn(-c2ccc(F)cc2F)n1.
What is the InChIKey of [1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-5-methylpyrrolidin-3-yl]methanamine?
The InChIKey is POKHTUZRAMKFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4/c1-11-6-12(8-19)9-21(11)10-14-4-5-22(20-14)16-3-2-13(17)7-15(16)18/h2-5,7,11-12H,6,8-10,19H2,1H3.
What are the key properties of [1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-5-methylpyrrolidin-3-yl]methanamine?
[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-5-methylpyrrolidin-3-yl]methanamine has a molecular weight of 306.36 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-5-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120966633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).