5-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrazole-3-carbaldehyde

C10H15N3O — CID 115092706

IUPAC5-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrazole-3-carbaldehyde
SMILESCN1CCCC1Cc1cc(C=O)n[nH]1
InChIInChI=1S/C10H15N3O/c1-13-4-2-3-10(13)6-8-5-9(7-14)12-11-8/h5,7,10H,2-4,6H2,1H3,(H,11,12)
InChIKeyORMNIIYQQZDIMN-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.86
Rot. Bonds3

About 5-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrazole-3-carbaldehyde

5-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrazole-3-carbaldehyde (PubChem CID 115092706) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name5-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrazole-3-carbaldehyde
PubChem CID115092706
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name5-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrazole-3-carbaldehyde
SMILESCN1CCCC1Cc1cc(C=O)n[nH]1
InChIInChI=1S/C10H15N3O/c1-13-4-2-3-10(13)6-8-5-9(7-14)12-11-8/h5,7,10H,2-4,6H2,1H3,(H,11,12)
InChIKeyORMNIIYQQZDIMN-UHFFFAOYSA-N
XLogP0.86
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(piperidin-2-ylmethyl)-1H-pyrazole-3-carbaldehyde
CID 115092787
5-amino-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyridazin-6-one
CID 117106006
1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]triazole-4-carbaldehyde
CID 129321483
5-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carbaldehyde
CID 115092267
4-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzene-1,2-diol
CID 94064047
5-bromo-3-[(1-methylpiperidin-2-yl)methyl]-1H-pyridazin-6-one
CID 117106161
5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carbaldehyde
CID 115094138
3-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde
CID 115080126
2-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidine
CID 23452506
3-[(1-methylpyrrolidin-2-yl)methoxy]benzaldehyde
CID 117051893
N-[4-[(1-methylpyrrolidin-2-yl)methyl]phenyl]acetamide
CID 23452543
1-[(4-fluorophenyl)methyl]-5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1,2,4-triazole
CID 97435522

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrazole-3-carbaldehyde?
The IUPAC name of 5-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrazole-3-carbaldehyde (CID 115092706) is 5-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrazole-3-carbaldehyde.
What is the SMILES notation for 5-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrazole-3-carbaldehyde?
The canonical SMILES for 5-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrazole-3-carbaldehyde is CN1CCCC1Cc1cc(C=O)n[nH]1.
What is the InChIKey of 5-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrazole-3-carbaldehyde?
The InChIKey is ORMNIIYQQZDIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-13-4-2-3-10(13)6-8-5-9(7-14)12-11-8/h5,7,10H,2-4,6H2,1H3,(H,11,12).
What are the key properties of 5-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrazole-3-carbaldehyde?
5-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrazole-3-carbaldehyde has a molecular weight of 193.25 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrazole-3-carbaldehyde is sourced from PubChem (CID 115092706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).