1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazole-4-carbaldehyde

C12H19N3O2 — CID 50986547

IUPAC1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazole-4-carbaldehyde
SMILESCC(C)c1nn(C)c(N2CCOCC2)c1C=O
InChIInChI=1S/C12H19N3O2/c1-9(2)11-10(8-16)12(14(3)13-11)15-4-6-17-7-5-15/h8-9H,4-7H2,1-3H3
InChIKeyLMVVEHDNKSMPQX-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.19
Rot. Bonds3

About 1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazole-4-carbaldehyde

1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazole-4-carbaldehyde (PubChem CID 50986547) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazole-4-carbaldehyde
PubChem CID50986547
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazole-4-carbaldehyde
SMILESCC(C)c1nn(C)c(N2CCOCC2)c1C=O
InChIInChI=1S/C12H19N3O2/c1-9(2)11-10(8-16)12(14(3)13-11)15-4-6-17-7-5-15/h8-9H,4-7H2,1-3H3
InChIKeyLMVVEHDNKSMPQX-UHFFFAOYSA-N
XLogP1.19
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1,3-Dimethyl-5-(morpholin-4-yl)-1H-pyrazole-4-carbaldehyde
CID 2776494
N,N-dimethyl-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
CID 51105444
5-(3,5-Dimethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
CID 43122025
1,3-Dimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazole-4-carbaldehyde
CID 65536284
1,3-Dimethyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazole-4-carbaldehyde
CID 65537640
1-(4-Formyl-1,3-dimethylpyrazol-5-yl)piperidine-3-carboxamide
CID 43121990
3-Ethyl-1-methyl-5-morpholin-4-yl-1H-pyrazole-4-carbaldehyde
CID 58764134
1,3-Dimethyl-5-(1,4-oxazepan-4-yl)-1h-pyrazole-4-carbaldehyde
CID 58764244
5-[2-Methoxyethyl(methyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde
CID 58764276
2-[5-[Ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazol-3-yl]-2-oxoacetaldehyde
CID 123848272
4-(1,4-Dimethyl-5-propan-2-ylpyrazol-3-yl)morpholine
CID 142466748
1,3-Dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carbaldehyde
CID 28951483

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazole-4-carbaldehyde?
The IUPAC name of 1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazole-4-carbaldehyde (CID 50986547) is 1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazole-4-carbaldehyde?
The canonical SMILES for 1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazole-4-carbaldehyde is CC(C)c1nn(C)c(N2CCOCC2)c1C=O.
What is the InChIKey of 1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazole-4-carbaldehyde?
The InChIKey is LMVVEHDNKSMPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(2)11-10(8-16)12(14(3)13-11)15-4-6-17-7-5-15/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazole-4-carbaldehyde?
1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazole-4-carbaldehyde has a molecular weight of 237.30 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazole-4-carbaldehyde is sourced from PubChem (CID 50986547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).