5-(3,4-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde

C12H19N3O — CID 79189203

IUPAC5-(3,4-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCc1nn(C)c(N2CC(C)C(C)C2)c1C=O
InChIInChI=1S/C12H19N3O/c1-8-5-15(6-9(8)2)12-11(7-16)10(3)13-14(12)4/h7-9H,5-6H2,1-4H3
InChIKeyMSDQQONUKQSORU-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.63
Rot. Bonds2

About 5-(3,4-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde

5-(3,4-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde (PubChem CID 79189203) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-(3,4-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(3,4-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
PubChem CID79189203
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-(3,4-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCc1nn(C)c(N2CC(C)C(C)C2)c1C=O
InChIInChI=1S/C12H19N3O/c1-8-5-15(6-9(8)2)12-11(7-16)10(3)13-14(12)4/h7-9H,5-6H2,1-4H3
InChIKeyMSDQQONUKQSORU-UHFFFAOYSA-N
XLogP1.63
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
CID 61441855
5-[3-(diethylamino)pyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbaldehyde
CID 55158986
5-(4,4-dimethylazepan-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
CID 65281403
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
1,3-dimethyl-5-(2-methyl-3,5-dioxopiperazin-1-yl)pyrazole-4-carbaldehyde
CID 66060782
3-[5-(3,4-dimethylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid
CID 77002743
1,3-dimethyl-5-[methyl-(2-methylcyclohexyl)amino]pyrazole-4-carbaldehyde
CID 55005227
5-[cyclopropyl(methyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde
CID 43265102
(E)-3-[5-(azepan-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid
CID 29018716
5-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
CID 63758006
4-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-2-methylpyrimidine-5-carbaldehyde
CID 80732678

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
The IUPAC name of 5-(3,4-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde (CID 79189203) is 5-(3,4-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-(3,4-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-(3,4-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde is Cc1nn(C)c(N2CC(C)C(C)C2)c1C=O.
What is the InChIKey of 5-(3,4-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
The InChIKey is MSDQQONUKQSORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-5-15(6-9(8)2)12-11(7-16)10(3)13-14(12)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 5-(3,4-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
5-(3,4-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde has a molecular weight of 221.30 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde is sourced from PubChem (CID 79189203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).