N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine

C16H27ClN4O — CID 95321556

IUPACN-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine
SMILESCC(C)c1nn(C)c(Cl)c1CNC[C@@H]1CN(C2CC2)CCO1
InChIInChI=1S/C16H27ClN4O/c1-11(2)15-14(16(17)20(3)19-15)9-18-8-13-10-21(6-7-22-13)12-4-5-12/h11-13,18H,4-10H2,1-3H3/t13-/m1/s1
InChIKeyOXMHVOWDUBEFBO-CYBMUJFWSA-N
MW326.87 g/mol
LogP2.15
Rot. Bonds6

About N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine

N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine (PubChem CID 95321556) has the molecular formula C16H27ClN4O and a molecular weight of 326.87 g/mol. Its IUPAC name is N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine.

Molecular Properties

Compound NameN-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine
PubChem CID95321556
Molecular FormulaC16H27ClN4O
Molecular Weight326.87 g/mol
Exact Mass326.19
IUPAC NameN-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine
SMILESCC(C)c1nn(C)c(Cl)c1CNC[C@@H]1CN(C2CC2)CCO1
InChIInChI=1S/C16H27ClN4O/c1-11(2)15-14(16(17)20(3)19-15)9-18-8-13-10-21(6-7-22-13)12-4-5-12/h11-13,18H,4-10H2,1-3H3/t13-/m1/s1
InChIKeyOXMHVOWDUBEFBO-CYBMUJFWSA-N
XLogP2.15
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine?
The IUPAC name of N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine (CID 95321556) is N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine.
What is the SMILES notation for N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine?
The canonical SMILES for N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine is CC(C)c1nn(C)c(Cl)c1CNC[C@@H]1CN(C2CC2)CCO1.
What is the InChIKey of N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine?
The InChIKey is OXMHVOWDUBEFBO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H27ClN4O/c1-11(2)15-14(16(17)20(3)19-15)9-18-8-13-10-21(6-7-22-13)12-4-5-12/h11-13,18H,4-10H2,1-3H3/t13-/m1/s1.
What are the key properties of N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine?
N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine has a molecular weight of 326.87 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine is sourced from PubChem (CID 95321556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).