3-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]pyrrolidine-1-carbaldehyde

C16H20N4O2 — CID 145062998

IUPAC3-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]pyrrolidine-1-carbaldehyde
SMILESCc1cc(-c2cnn(CCO)c2)cc(C2CCN(C=O)C2)n1
InChIInChI=1S/C16H20N4O2/c1-12-6-14(15-8-17-20(10-15)4-5-21)7-16(18-12)13-2-3-19(9-13)11-22/h6-8,10-11,13,21H,2-5,9H2,1H3
InChIKeyGVJDWMXZHRYOAX-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.19
Rot. Bonds5

About 3-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]pyrrolidine-1-carbaldehyde

3-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]pyrrolidine-1-carbaldehyde (PubChem CID 145062998) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]pyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name3-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]pyrrolidine-1-carbaldehyde
PubChem CID145062998
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]pyrrolidine-1-carbaldehyde
SMILESCc1cc(-c2cnn(CCO)c2)cc(C2CCN(C=O)C2)n1
InChIInChI=1S/C16H20N4O2/c1-12-6-14(15-8-17-20(10-15)4-5-21)7-16(18-12)13-2-3-19(9-13)11-22/h6-8,10-11,13,21H,2-5,9H2,1H3
InChIKeyGVJDWMXZHRYOAX-UHFFFAOYSA-N
XLogP1.19
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(1-benzylpyrazol-4-yl)-6-methyl-2-pyridinyl]pyrrolidine-1-carbaldehyde
CID 145062838
3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidine-1-carbaldehyde
CID 145062803
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95813935
2,6-dimethyl-4-(1-propylpyrazol-4-yl)pyridine;ethane
CID 145062525
1-[(3S)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 95813929
(5-methyl-1H-indazol-3-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95834667
1-[(2R)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 124958096
butyl 3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]azetidine-1-carboxylate
CID 175790335
4-(1-ethylpyrazol-4-yl)-2,6-dimethylpyridine
CID 121279540
1-[3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 110264820
2,8-dimethyl-3-[[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 95814038
(1-methylpyrazol-4-yl)-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone
CID 92615374

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]pyrrolidine-1-carbaldehyde?
The IUPAC name of 3-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]pyrrolidine-1-carbaldehyde (CID 145062998) is 3-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]pyrrolidine-1-carbaldehyde.
What is the SMILES notation for 3-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]pyrrolidine-1-carbaldehyde?
The canonical SMILES for 3-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]pyrrolidine-1-carbaldehyde is Cc1cc(-c2cnn(CCO)c2)cc(C2CCN(C=O)C2)n1.
What is the InChIKey of 3-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]pyrrolidine-1-carbaldehyde?
The InChIKey is GVJDWMXZHRYOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-6-14(15-8-17-20(10-15)4-5-21)7-16(18-12)13-2-3-19(9-13)11-22/h6-8,10-11,13,21H,2-5,9H2,1H3.
What are the key properties of 3-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]pyrrolidine-1-carbaldehyde?
3-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]pyrrolidine-1-carbaldehyde has a molecular weight of 300.36 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]pyrrolidine-1-carbaldehyde is sourced from PubChem (CID 145062998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).