5-[3-(diethylamino)pyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbaldehyde

C14H24N4O — CID 55158986

IUPAC5-[3-(diethylamino)pyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCCN(CC)C1CCN(c2c(C=O)c(C)nn2C)C1
InChIInChI=1S/C14H24N4O/c1-5-17(6-2)12-7-8-18(9-12)14-13(10-19)11(3)15-16(14)4/h10,12H,5-9H2,1-4H3
InChIKeyYBXRFUWWAOYRAU-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.46
Rot. Bonds5

About 5-[3-(diethylamino)pyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbaldehyde

5-[3-(diethylamino)pyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbaldehyde (PubChem CID 55158986) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-[3-(diethylamino)pyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-[3-(diethylamino)pyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbaldehyde
PubChem CID55158986
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name5-[3-(diethylamino)pyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCCN(CC)C1CCN(c2c(C=O)c(C)nn2C)C1
InChIInChI=1S/C14H24N4O/c1-5-17(6-2)12-7-8-18(9-12)14-13(10-19)11(3)15-16(14)4/h10,12H,5-9H2,1-4H3
InChIKeyYBXRFUWWAOYRAU-UHFFFAOYSA-N
XLogP1.46
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.46
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

5-(3,4-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
CID 79189203
5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
CID 61441855
5-(4-ethyl-4-methylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
CID 63158446
5-(4-butan-2-ylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
CID 62773068
5-(4,4-dimethylazepan-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
CID 65281403
5-[cyclopropyl(methyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde
CID 43265102
4-chloro-2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-thiazole-5-carbaldehyde
CID 80688176
1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-N,N-dimethylpyrrolidin-3-amine
CID 55159710
5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-amine
CID 63945623
3-[3-(diethylamino)pyrrolidin-1-yl]cyclopent-2-en-1-one
CID 104787910
1,3-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazol-4-amine
CID 61225576
4-[3-(diethylamino)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboxylic acid
CID 81037184

Frequently Asked Questions

What is the IUPAC name of 5-[3-(diethylamino)pyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbaldehyde?
The IUPAC name of 5-[3-(diethylamino)pyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbaldehyde (CID 55158986) is 5-[3-(diethylamino)pyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-[3-(diethylamino)pyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-[3-(diethylamino)pyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbaldehyde is CCN(CC)C1CCN(c2c(C=O)c(C)nn2C)C1.
What is the InChIKey of 5-[3-(diethylamino)pyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbaldehyde?
The InChIKey is YBXRFUWWAOYRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-5-17(6-2)12-7-8-18(9-12)14-13(10-19)11(3)15-16(14)4/h10,12H,5-9H2,1-4H3.
What are the key properties of 5-[3-(diethylamino)pyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbaldehyde?
5-[3-(diethylamino)pyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbaldehyde has a molecular weight of 264.37 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(diethylamino)pyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbaldehyde is sourced from PubChem (CID 55158986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).