5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazole-4-carbaldehyde

C10H17N3O — CID 50986545

IUPAC5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazole-4-carbaldehyde
SMILESCC(C)c1nn(C)c(N(C)C)c1C=O
InChIInChI=1S/C10H17N3O/c1-7(2)9-8(6-14)10(12(3)4)13(5)11-9/h6-7H,1-5H3
InChIKeySFTUSMHYANBCQA-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.42
Rot. Bonds3

About 5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazole-4-carbaldehyde

5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazole-4-carbaldehyde (PubChem CID 50986545) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazole-4-carbaldehyde
PubChem CID50986545
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazole-4-carbaldehyde
SMILESCC(C)c1nn(C)c(N(C)C)c1C=O
InChIInChI=1S/C10H17N3O/c1-7(2)9-8(6-14)10(12(3)4)13(5)11-9/h6-7H,1-5H3
InChIKeySFTUSMHYANBCQA-UHFFFAOYSA-N
XLogP1.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.42
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

1-methyl-5-phenoxy-3-propan-2-ylpyrazole-4-carbaldehyde
CID 86155316
5-[cyclopropyl(methyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde
CID 43265102
5-chloro-3-propan-2-yl-1-propylpyrazole-4-carbaldehyde
CID 61267063
4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N-methylbenzamide
CID 51104983
1-[4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]phenyl]ethanol
CID 51105252
N-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methyl]-N'-pyrimidin-2-ylethane-1,2-diamine
CID 51105276
N,N,1-trimethyl-4-[[[(2S)-1-methylpyrrolidin-2-yl]methylamino]methyl]-3-propan-2-ylpyrazol-5-amine
CID 95139724
1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-methylamino]propan-2-ol
CID 66019786
5-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine
CID 51105016
N-cyclopentyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide
CID 51105240
(2R)-1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 95139447
(2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide
CID 95140170

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazole-4-carbaldehyde?
The IUPAC name of 5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazole-4-carbaldehyde (CID 50986545) is 5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazole-4-carbaldehyde is CC(C)c1nn(C)c(N(C)C)c1C=O.
What is the InChIKey of 5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazole-4-carbaldehyde?
The InChIKey is SFTUSMHYANBCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)9-8(6-14)10(12(3)4)13(5)11-9/h6-7H,1-5H3.
What are the key properties of 5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazole-4-carbaldehyde?
5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazole-4-carbaldehyde has a molecular weight of 195.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazole-4-carbaldehyde is sourced from PubChem (CID 50986545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).