2-[(5-methylpyrazol-1-yl)methyl]-4-propan-2-ylmorpholine

C12H21N3O — CID 64534558

IUPAC2-[(5-methylpyrazol-1-yl)methyl]-4-propan-2-ylmorpholine
SMILESCc1ccnn1CC1CN(C(C)C)CCO1
InChIInChI=1S/C12H21N3O/c1-10(2)14-6-7-16-12(8-14)9-15-11(3)4-5-13-15/h4-5,10,12H,6-9H2,1-3H3
InChIKeyLCDQCINFIPJCQF-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.30
Rot. Bonds3

About 2-[(5-methylpyrazol-1-yl)methyl]-4-propan-2-ylmorpholine

2-[(5-methylpyrazol-1-yl)methyl]-4-propan-2-ylmorpholine (PubChem CID 64534558) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[(5-methylpyrazol-1-yl)methyl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-[(5-methylpyrazol-1-yl)methyl]-4-propan-2-ylmorpholine
PubChem CID64534558
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[(5-methylpyrazol-1-yl)methyl]-4-propan-2-ylmorpholine
SMILESCc1ccnn1CC1CN(C(C)C)CCO1
InChIInChI=1S/C12H21N3O/c1-10(2)14-6-7-16-12(8-14)9-15-11(3)4-5-13-15/h4-5,10,12H,6-9H2,1-3H3
InChIKeyLCDQCINFIPJCQF-UHFFFAOYSA-N
XLogP1.30
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(5-methylpyrazol-1-yl)methyl]-4-propan-2-ylmorpholine 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

4-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrazol-3-amine
CID 64535535
3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carboxylic acid
CID 102604816
2-[3,5-dimethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrazol-4-yl]acetic acid
CID 64534338
(2S)-4-propan-2-yl-2-(propan-2-yloxymethyl)morpholine
CID 174286235
(4-propan-2-ylmorpholin-2-yl)-(2-propylpyrazol-3-yl)methanamine
CID 79664704
2-[(5-methylindol-1-yl)methyl]-4-propan-2-ylmorpholine
CID 116622956
[6-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methoxy]-2-pyridinyl]methanamine
CID 79162914
2-[(4-propan-2-ylmorpholin-2-yl)methyl]-3,4-dihydroisoquinolin-1-one
CID 115773457
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-3-carboxylic acid
CID 79104478
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carbaldehyde
CID 66407258
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione
CID 64533566
4-propan-2-yl-2-propylmorpholine
CID 118118152

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylpyrazol-1-yl)methyl]-4-propan-2-ylmorpholine?
The IUPAC name of 2-[(5-methylpyrazol-1-yl)methyl]-4-propan-2-ylmorpholine (CID 64534558) is 2-[(5-methylpyrazol-1-yl)methyl]-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-[(5-methylpyrazol-1-yl)methyl]-4-propan-2-ylmorpholine?
The canonical SMILES for 2-[(5-methylpyrazol-1-yl)methyl]-4-propan-2-ylmorpholine is Cc1ccnn1CC1CN(C(C)C)CCO1.
What is the InChIKey of 2-[(5-methylpyrazol-1-yl)methyl]-4-propan-2-ylmorpholine?
The InChIKey is LCDQCINFIPJCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(2)14-6-7-16-12(8-14)9-15-11(3)4-5-13-15/h4-5,10,12H,6-9H2,1-3H3.
What are the key properties of 2-[(5-methylpyrazol-1-yl)methyl]-4-propan-2-ylmorpholine?
2-[(5-methylpyrazol-1-yl)methyl]-4-propan-2-ylmorpholine has a molecular weight of 223.32 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylpyrazol-1-yl)methyl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 64534558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).