(2S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine

C14H25ClN4O — CID 95124962

IUPAC(2S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCc1nn(C)c(Cl)c1CN(C)C[C@H](C)N1CCOCC1
InChIInChI=1S/C14H25ClN4O/c1-11(19-5-7-20-8-6-19)9-17(3)10-13-12(2)16-18(4)14(13)15/h11H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyUYNBHIFDWWRGKD-NSHDSACASA-N
MW300.83 g/mol
LogP1.53
Rot. Bonds5

About (2S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine

(2S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine (PubChem CID 95124962) has the molecular formula C14H25ClN4O and a molecular weight of 300.83 g/mol. Its IUPAC name is (2S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name(2S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
PubChem CID95124962
Molecular FormulaC14H25ClN4O
Molecular Weight300.83 g/mol
Exact Mass300.17
IUPAC Name(2S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCc1nn(C)c(Cl)c1CN(C)C[C@H](C)N1CCOCC1
InChIInChI=1S/C14H25ClN4O/c1-11(19-5-7-20-8-6-19)9-17(3)10-13-12(2)16-18(4)14(13)15/h11H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyUYNBHIFDWWRGKD-NSHDSACASA-N
XLogP1.53
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine?
The IUPAC name of (2S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine (CID 95124962) is (2S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for (2S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for (2S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine is Cc1nn(C)c(Cl)c1CN(C)C[C@H](C)N1CCOCC1.
What is the InChIKey of (2S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine?
The InChIKey is UYNBHIFDWWRGKD-NSHDSACASA-N. The full InChI is InChI=1S/C14H25ClN4O/c1-11(19-5-7-20-8-6-19)9-17(3)10-13-12(2)16-18(4)14(13)15/h11H,5-10H2,1-4H3/t11-/m0/s1.
What are the key properties of (2S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine?
(2S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine has a molecular weight of 300.83 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 95124962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).