1-(pyrazol-1-ylmethyl)cyclopropane-1-carbaldehyde

C8H10N2O — CID 138504533

IUPAC1-(pyrazol-1-ylmethyl)cyclopropane-1-carbaldehyde
SMILESO=CC1(Cn2cccn2)CC1
InChIInChI=1S/C8H10N2O/c11-7-8(2-3-8)6-10-5-1-4-9-10/h1,4-5,7H,2-3,6H2
InChIKeyXQSFPFJWKBHJLE-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.86
Rot. Bonds3

About 1-(pyrazol-1-ylmethyl)cyclopropane-1-carbaldehyde

1-(pyrazol-1-ylmethyl)cyclopropane-1-carbaldehyde (PubChem CID 138504533) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-(pyrazol-1-ylmethyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-(pyrazol-1-ylmethyl)cyclopropane-1-carbaldehyde
PubChem CID138504533
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name1-(pyrazol-1-ylmethyl)cyclopropane-1-carbaldehyde
SMILESO=CC1(Cn2cccn2)CC1
InChIInChI=1S/C8H10N2O/c11-7-8(2-3-8)6-10-5-1-4-9-10/h1,4-5,7H,2-3,6H2
InChIKeyXQSFPFJWKBHJLE-UHFFFAOYSA-N
XLogP0.86
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.86
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

pyrazol-1-ylmethyl formate
CID 87826758
(2S)-3-oxo-2-(pyrazol-1-ylmethyl)azetidine-1-carbaldehyde
CID 88570747
1-(2-pyrazol-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62096262
2-ethyl-1-(pyrazol-1-ylmethyl)cyclopropan-1-amine
CID 84652213
2-[3-(pyrazol-1-ylmethyl)phenyl]acetaldehyde
CID 123588781
N-[(1-methylcyclopropyl)methyl]-2-pyrazol-1-ylethanamine
CID 107165972
1-[dideuterio(pyrazol-1-yl)methyl]pyrazole
CID 131845717
1-ethylpyrazole;propane
CID 142296683
tert-butyl (1R,5R)-3-formyl-5-(pyrazol-1-ylmethyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 163566238
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-pyrazol-1-ylethanamine
CID 114757545
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone
CID 80707191
1-[[2,3,4,5,6-pentakis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
CID 15190545

Frequently Asked Questions

What is the IUPAC name of 1-(pyrazol-1-ylmethyl)cyclopropane-1-carbaldehyde?
The IUPAC name of 1-(pyrazol-1-ylmethyl)cyclopropane-1-carbaldehyde (CID 138504533) is 1-(pyrazol-1-ylmethyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-(pyrazol-1-ylmethyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-(pyrazol-1-ylmethyl)cyclopropane-1-carbaldehyde is O=CC1(Cn2cccn2)CC1.
What is the InChIKey of 1-(pyrazol-1-ylmethyl)cyclopropane-1-carbaldehyde?
The InChIKey is XQSFPFJWKBHJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c11-7-8(2-3-8)6-10-5-1-4-9-10/h1,4-5,7H,2-3,6H2.
What are the key properties of 1-(pyrazol-1-ylmethyl)cyclopropane-1-carbaldehyde?
1-(pyrazol-1-ylmethyl)cyclopropane-1-carbaldehyde has a molecular weight of 150.18 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrazol-1-ylmethyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 138504533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).