5-propan-2-yl-1-propylpyrazole-4-carbaldehyde

C10H16N2O — CID 112712313

IUPAC5-propan-2-yl-1-propylpyrazole-4-carbaldehyde
SMILESCCCn1ncc(C=O)c1C(C)C
InChIInChI=1S/C10H16N2O/c1-4-5-12-10(8(2)3)9(7-13)6-11-12/h6-8H,4-5H2,1-3H3
InChIKeyNLAABVGVRSALNF-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.23
Rot. Bonds4

About 5-propan-2-yl-1-propylpyrazole-4-carbaldehyde

5-propan-2-yl-1-propylpyrazole-4-carbaldehyde (PubChem CID 112712313) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-propan-2-yl-1-propylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-propan-2-yl-1-propylpyrazole-4-carbaldehyde
PubChem CID112712313
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name5-propan-2-yl-1-propylpyrazole-4-carbaldehyde
SMILESCCCn1ncc(C=O)c1C(C)C
InChIInChI=1S/C10H16N2O/c1-4-5-12-10(8(2)3)9(7-13)6-11-12/h6-8H,4-5H2,1-3H3
InChIKeyNLAABVGVRSALNF-UHFFFAOYSA-N
XLogP2.23
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-5-propan-2-yl-1-propylpyrazole
CID 66437944
1,5-di(propan-2-yl)pyrazole-4-carbaldehyde
CID 21097231
1-tert-butyl-5-propan-2-ylpyrazole-4-carbaldehyde
CID 105448388
1-hexyl-5-methylpyrazole-4-carbaldehyde
CID 139674807
1-(4-methoxy-1-propylpyrazol-5-yl)ethylhydrazine
CID 105201289
1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol
CID 103452617
N-[1-(4-bromo-1-propylpyrazol-5-yl)ethyl]propan-1-amine
CID 114647831
1-(3-methylbutyl)-5-phenylpyrazole-4-carbaldehyde
CID 61414575
N-[[5-(difluoromethyl)-1-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66439923
N-[[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-1-amine
CID 66441610
4-(4-bromo-1-propylpyrazol-5-yl)pentan-2-amine
CID 114664574
4-bromo-5-(4-chloropentan-2-yl)-1-propylpyrazole
CID 114665550

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1-propylpyrazole-4-carbaldehyde?
The IUPAC name of 5-propan-2-yl-1-propylpyrazole-4-carbaldehyde (CID 112712313) is 5-propan-2-yl-1-propylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-propan-2-yl-1-propylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-propan-2-yl-1-propylpyrazole-4-carbaldehyde is CCCn1ncc(C=O)c1C(C)C.
What is the InChIKey of 5-propan-2-yl-1-propylpyrazole-4-carbaldehyde?
The InChIKey is NLAABVGVRSALNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-5-12-10(8(2)3)9(7-13)6-11-12/h6-8H,4-5H2,1-3H3.
What are the key properties of 5-propan-2-yl-1-propylpyrazole-4-carbaldehyde?
5-propan-2-yl-1-propylpyrazole-4-carbaldehyde has a molecular weight of 180.25 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1-propylpyrazole-4-carbaldehyde is sourced from PubChem (CID 112712313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).