methyl 5-(4-formylpyrazol-1-yl)pentanoate

C10H14N2O3 — CID 165460763

IUPACmethyl 5-(4-formylpyrazol-1-yl)pentanoate
SMILESCOC(=O)CCCCn1cc(C=O)cn1
InChIInChI=1S/C10H14N2O3/c1-15-10(14)4-2-3-5-12-7-9(8-13)6-11-12/h6-8H,2-5H2,1H3
InChIKeyJQQSPWAQUTWYLH-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.04
Rot. Bonds6

About methyl 5-(4-formylpyrazol-1-yl)pentanoate

methyl 5-(4-formylpyrazol-1-yl)pentanoate (PubChem CID 165460763) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 5-(4-formylpyrazol-1-yl)pentanoate.

Molecular Properties

Compound Namemethyl 5-(4-formylpyrazol-1-yl)pentanoate
PubChem CID165460763
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Namemethyl 5-(4-formylpyrazol-1-yl)pentanoate
SMILESCOC(=O)CCCCn1cc(C=O)cn1
InChIInChI=1S/C10H14N2O3/c1-15-10(14)4-2-3-5-12-7-9(8-13)6-11-12/h6-8H,2-5H2,1H3
InChIKeyJQQSPWAQUTWYLH-UHFFFAOYSA-N
XLogP1.04
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloropropyl)pyrazole-4-carbaldehyde
CID 54594067
1-[2-[2-(4-formylpyrazol-1-yl)ethoxy]ethyl]pyrazole-4-carbaldehyde
CID 101441562
methyl 3-(4-chloropyrazol-1-yl)propanoate
CID 7017157
3-[4-[(6-methoxy-6-oxohexyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471172
methyl 3-(4-carbamoylpyrazol-1-yl)propanoate
CID 50896619
methyl 4-[4-(3-aminophenyl)pyrazol-1-yl]butanoate
CID 63338020
methyl 3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]propanoate
CID 64829565
methyl 4-(1-ethylpyrazol-4-yl)oxybutanoate
CID 116800049
methyl 3-(4-nitropyrazol-1-yl)propanoate
CID 4184227
methyl 4-(2,5-diformylpyrrol-1-yl)butanoate
CID 131856411
methyl 3-[1-(2-chloroethyl)pyrazol-4-yl]-2-cyanoprop-2-enoate
CID 75854999
methyl 5-(5-formyl-2-methoxyphenoxy)pentanoate
CID 87741357

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-formylpyrazol-1-yl)pentanoate?
The IUPAC name of methyl 5-(4-formylpyrazol-1-yl)pentanoate (CID 165460763) is methyl 5-(4-formylpyrazol-1-yl)pentanoate.
What is the SMILES notation for methyl 5-(4-formylpyrazol-1-yl)pentanoate?
The canonical SMILES for methyl 5-(4-formylpyrazol-1-yl)pentanoate is COC(=O)CCCCn1cc(C=O)cn1.
What is the InChIKey of methyl 5-(4-formylpyrazol-1-yl)pentanoate?
The InChIKey is JQQSPWAQUTWYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-15-10(14)4-2-3-5-12-7-9(8-13)6-11-12/h6-8H,2-5H2,1H3.
What are the key properties of methyl 5-(4-formylpyrazol-1-yl)pentanoate?
methyl 5-(4-formylpyrazol-1-yl)pentanoate has a molecular weight of 210.23 g/mol, XLogP of 1.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-formylpyrazol-1-yl)pentanoate is sourced from PubChem (CID 165460763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).