N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C19H26F2N4 — CID 75382980

IUPACN-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1C(C)NCC1CCN(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C19H26F2N4/c1-12(19-13(2)23-24(4)14(19)3)22-10-15-7-8-25(11-15)16-5-6-17(20)18(21)9-16/h5-6,9,12,15,22H,7-8,10-11H2,1-4H3
InChIKeyWZVVNSMCQZTXRP-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.49
Rot. Bonds5

About N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 75382980) has the molecular formula C19H26F2N4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID75382980
Molecular FormulaC19H26F2N4
Molecular Weight348.44 g/mol
Exact Mass348.21
IUPAC NameN-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1C(C)NCC1CCN(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C19H26F2N4/c1-12(19-13(2)23-24(4)14(19)3)22-10-15-7-8-25(11-15)16-5-6-17(20)18(21)9-16/h5-6,9,12,15,22H,7-8,10-11H2,1-4H3
InChIKeyWZVVNSMCQZTXRP-UHFFFAOYSA-N
XLogP3.49
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 75382980) is N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is Cc1nn(C)c(C)c1C(C)NCC1CCN(c2ccc(F)c(F)c2)C1.
What is the InChIKey of N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is WZVVNSMCQZTXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N4/c1-12(19-13(2)23-24(4)14(19)3)22-10-15-7-8-25(11-15)16-5-6-17(20)18(21)9-16/h5-6,9,12,15,22H,7-8,10-11H2,1-4H3.
What are the key properties of N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 348.44 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 75382980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).