[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1H-pyrazol-4-yl)methanone

C14H22N4O2 — CID 129334520

IUPAC[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
SMILESCN(CC1CC1)C[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1
InChIInChI=1S/C14H22N4O2/c1-17(8-11-2-3-11)9-13-10-18(4-5-20-13)14(19)12-6-15-16-7-12/h6-7,11,13H,2-5,8-10H2,1H3,(H,15,16)/t13-/m1/s1
InChIKeyHHWNWLVHBJMYFA-CYBMUJFWSA-N
MW278.36 g/mol
LogP0.59
Rot. Bonds5

About [(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1H-pyrazol-4-yl)methanone

[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1H-pyrazol-4-yl)methanone (PubChem CID 129334520) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
PubChem CID129334520
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
SMILESCN(CC1CC1)C[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1
InChIInChI=1S/C14H22N4O2/c1-17(8-11-2-3-11)9-13-10-18(4-5-20-13)14(19)12-6-15-16-7-12/h6-7,11,13H,2-5,8-10H2,1H3,(H,15,16)/t13-/m1/s1
InChIKeyHHWNWLVHBJMYFA-CYBMUJFWSA-N
XLogP0.59
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 128969879
[2-(chloromethyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 81210941
N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 129478448
[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(6-methyl-2-pyridinyl)methanone
CID 129336719
6-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholine-4-carbonyl]pyridine-3-carbonitrile
CID 128973859
[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(3,5-dimethylfuran-2-yl)methanone
CID 128995566
3-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholine-4-carbonyl]benzonitrile
CID 129343097
[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone
CID 129336560
[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1-cyclopropylpyrrol-2-yl)methanone
CID 129342482
[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1-cyclopropylpyrrol-2-yl)methanone
CID 129342481
(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-N-(oxan-4-yl)morpholine-4-carboxamide
CID 129330732
1-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-[(2S)-oxan-2-yl]ethanone
CID 129343528

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1H-pyrazol-4-yl)methanone?
The IUPAC name of [(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1H-pyrazol-4-yl)methanone (CID 129334520) is [(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for [(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1H-pyrazol-4-yl)methanone is CN(CC1CC1)C[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1.
What is the InChIKey of [(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1H-pyrazol-4-yl)methanone?
The InChIKey is HHWNWLVHBJMYFA-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-17(8-11-2-3-11)9-13-10-18(4-5-20-13)14(19)12-6-15-16-7-12/h6-7,11,13H,2-5,8-10H2,1H3,(H,15,16)/t13-/m1/s1.
What are the key properties of [(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1H-pyrazol-4-yl)methanone?
[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1H-pyrazol-4-yl)methanone has a molecular weight of 278.36 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 129334520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).