1,5-di(propan-2-yl)pyrazole-4-carbaldehyde

C10H16N2O — CID 21097231

IUPAC1,5-di(propan-2-yl)pyrazole-4-carbaldehyde
SMILESCC(C)c1c(C=O)cnn1C(C)C
InChIInChI=1S/C10H16N2O/c1-7(2)10-9(6-13)5-11-12(10)8(3)4/h5-8H,1-4H3
InChIKeyCDZHGKJWUGQINH-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.40
Rot. Bonds3

About 1,5-di(propan-2-yl)pyrazole-4-carbaldehyde

1,5-di(propan-2-yl)pyrazole-4-carbaldehyde (PubChem CID 21097231) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1,5-di(propan-2-yl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1,5-di(propan-2-yl)pyrazole-4-carbaldehyde
PubChem CID21097231
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1,5-di(propan-2-yl)pyrazole-4-carbaldehyde
SMILESCC(C)c1c(C=O)cnn1C(C)C
InChIInChI=1S/C10H16N2O/c1-7(2)10-9(6-13)5-11-12(10)8(3)4/h5-8H,1-4H3
InChIKeyCDZHGKJWUGQINH-UHFFFAOYSA-N
XLogP2.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.40
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

5-chloro-1-propan-2-ylpyrazole-4-carbaldehyde
CID 84717472
1-tert-butyl-5-propan-2-ylpyrazole-4-carbaldehyde
CID 105448388
5-propan-2-yl-1-propylpyrazole-4-carbaldehyde
CID 112712313
5-propan-2-yl-1-(trifluoromethyl)pyrazole-4-carbaldehyde
CID 112713379
5-(methylamino)-1-propan-2-ylpyrazole-4-carbaldehyde;molecular hydrogen
CID 142866678
1,5-di(propan-2-yl)pyrazol-4-amine
CID 66442434
1-cyclohexyl-5-propan-2-ylpyrazole-4-carbaldehyde
CID 83889568
4-methyl-1-propan-2-ylpyrazole-5-carbaldehyde
CID 139675289
[1,5-di(propan-2-yl)pyrazol-4-yl]methanamine
CID 66440927
4-cyclopropyl-1,5-di(propan-2-yl)pyrazole
CID 168800092
1-propan-2-yl-4-(trifluoromethyl)pyrazole-5-carbaldehyde
CID 84734100
4-(difluoromethoxy)-1,5-di(propan-2-yl)pyrazole
CID 162378326

Frequently Asked Questions

What is the IUPAC name of 1,5-di(propan-2-yl)pyrazole-4-carbaldehyde?
The IUPAC name of 1,5-di(propan-2-yl)pyrazole-4-carbaldehyde (CID 21097231) is 1,5-di(propan-2-yl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1,5-di(propan-2-yl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1,5-di(propan-2-yl)pyrazole-4-carbaldehyde is CC(C)c1c(C=O)cnn1C(C)C.
What is the InChIKey of 1,5-di(propan-2-yl)pyrazole-4-carbaldehyde?
The InChIKey is CDZHGKJWUGQINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)10-9(6-13)5-11-12(10)8(3)4/h5-8H,1-4H3.
What are the key properties of 1,5-di(propan-2-yl)pyrazole-4-carbaldehyde?
1,5-di(propan-2-yl)pyrazole-4-carbaldehyde has a molecular weight of 180.25 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-di(propan-2-yl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 21097231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).