N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine

C19H32F3N5O — CID 86884964

IUPACN-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
SMILESCC(C)c1nn(C)c(N2CCOCC2)c1CNCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C19H32F3N5O/c1-14(2)17-16(18(25(3)24-17)27-6-8-28-9-7-27)11-23-10-15-4-5-26(12-15)13-19(20,21)22/h14-15,23H,4-13H2,1-3H3
InChIKeyDWAGGKNHCSGGMD-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.35
Rot. Bonds7

About N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine

N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine (PubChem CID 86884964) has the molecular formula C19H32F3N5O and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
PubChem CID86884964
Molecular FormulaC19H32F3N5O
Molecular Weight403.49 g/mol
Exact Mass403.26
IUPAC NameN-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
SMILESCC(C)c1nn(C)c(N2CCOCC2)c1CNCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C19H32F3N5O/c1-14(2)17-16(18(25(3)24-17)27-6-8-28-9-7-27)11-23-10-15-4-5-26(12-15)13-19(20,21)22/h14-15,23H,4-13H2,1-3H3
InChIKeyDWAGGKNHCSGGMD-UHFFFAOYSA-N
XLogP2.35
TPSA45.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine (CID 86884964) is N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine is CC(C)c1nn(C)c(N2CCOCC2)c1CNCC1CCN(CC(F)(F)F)C1.
What is the InChIKey of N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine?
The InChIKey is DWAGGKNHCSGGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32F3N5O/c1-14(2)17-16(18(25(3)24-17)27-6-8-28-9-7-27)11-23-10-15-4-5-26(12-15)13-19(20,21)22/h14-15,23H,4-13H2,1-3H3.
What are the key properties of N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine?
N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine has a molecular weight of 403.49 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 86884964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).