(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpentyl)morpholine

C16H29N3O — CID 28872424

IUPAC(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpentyl)morpholine
SMILESCc1c(CN2CCO[C@H](CCCC(C)C)C2)cnn1C
InChIInChI=1S/C16H29N3O/c1-13(2)6-5-7-16-12-19(8-9-20-16)11-15-10-17-18(4)14(15)3/h10,13,16H,5-9,11-12H2,1-4H3/t16-/m1/s1
InChIKeyIPPLGOZSWKNVBO-MRXNPFEDSA-N
MW279.43 g/mol
LogP2.76
Rot. Bonds6

About (2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpentyl)morpholine

(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpentyl)morpholine (PubChem CID 28872424) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is (2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpentyl)morpholine.

Molecular Properties

Compound Name(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpentyl)morpholine
PubChem CID28872424
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpentyl)morpholine
SMILESCc1c(CN2CCO[C@H](CCCC(C)C)C2)cnn1C
InChIInChI=1S/C16H29N3O/c1-13(2)6-5-7-16-12-19(8-9-20-16)11-15-10-17-18(4)14(15)3/h10,13,16H,5-9,11-12H2,1-4H3/t16-/m1/s1
InChIKeyIPPLGOZSWKNVBO-MRXNPFEDSA-N
XLogP2.76
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpentyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid
CID 79596226
(2S)-4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine
CID 42530239
(2R)-2,4-bis(4-methylpentyl)morpholine
CID 149421762
1,5-dimethyl-4-[[(2R)-2-(4-methylpentyl)morpholin-4-yl]methyl]-2-phenylpyrazol-3-one
CID 28732080
(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]morpholine
CID 125016910
2-[(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-6-methylpyridin-4-amine
CID 124982771
[(2S)-2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 25373845
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-ethylpiperidin-4-amine
CID 81457852
4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(3-phenylpropyl)morpholine
CID 45245084
(2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine
CID 161175783
2-(bromomethyl)-4-(4-methylpentyl)morpholine
CID 83168587
[4-(4-methylpentyl)morpholin-2-yl]methanamine
CID 83157184

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpentyl)morpholine?
The IUPAC name of (2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpentyl)morpholine (CID 28872424) is (2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpentyl)morpholine.
What is the SMILES notation for (2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpentyl)morpholine?
The canonical SMILES for (2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpentyl)morpholine is Cc1c(CN2CCO[C@H](CCCC(C)C)C2)cnn1C.
What is the InChIKey of (2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpentyl)morpholine?
The InChIKey is IPPLGOZSWKNVBO-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H29N3O/c1-13(2)6-5-7-16-12-19(8-9-20-16)11-15-10-17-18(4)14(15)3/h10,13,16H,5-9,11-12H2,1-4H3/t16-/m1/s1.
What are the key properties of (2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpentyl)morpholine?
(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpentyl)morpholine has a molecular weight of 279.43 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpentyl)morpholine is sourced from PubChem (CID 28872424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).