1-[4-(6-formyl-2-pyridinyl)pyrazol-1-yl]cyclopropane-1-carbonitrile

C13H10N4O — CID 156568947

IUPAC1-[4-(6-formyl-2-pyridinyl)pyrazol-1-yl]cyclopropane-1-carbonitrile
SMILESN#CC1(n2cc(-c3cccc(C=O)n3)cn2)CC1
InChIInChI=1S/C13H10N4O/c14-9-13(4-5-13)17-7-10(6-15-17)12-3-1-2-11(8-18)16-12/h1-3,6-8H,4-5H2
InChIKeyJDBOKGYDGRCADA-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.77
Rot. Bonds3

About 1-[4-(6-formyl-2-pyridinyl)pyrazol-1-yl]cyclopropane-1-carbonitrile

1-[4-(6-formyl-2-pyridinyl)pyrazol-1-yl]cyclopropane-1-carbonitrile (PubChem CID 156568947) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-[4-(6-formyl-2-pyridinyl)pyrazol-1-yl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-(6-formyl-2-pyridinyl)pyrazol-1-yl]cyclopropane-1-carbonitrile
PubChem CID156568947
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name1-[4-(6-formyl-2-pyridinyl)pyrazol-1-yl]cyclopropane-1-carbonitrile
SMILESN#CC1(n2cc(-c3cccc(C=O)n3)cn2)CC1
InChIInChI=1S/C13H10N4O/c14-9-13(4-5-13)17-7-10(6-15-17)12-3-1-2-11(8-18)16-12/h1-3,6-8H,4-5H2
InChIKeyJDBOKGYDGRCADA-UHFFFAOYSA-N
XLogP1.77
TPSA71.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[1-(difluoromethyl)pyrazol-4-yl]pyridine-2-carbaldehyde
CID 146437553
6-(6-formyl-2-pyridinyl)pyridine-2-carbaldehyde
CID 4975903
1-(4-propan-2-ylpyrazol-1-yl)cyclopropane-1-carbonitrile
CID 177278679
6-(1H-pyrazol-4-yl)pyridine-2-carbaldehyde
CID 165129883
6-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbaldehyde
CID 133093639
6-(1-methylpyrazol-4-yl)pyrazine-2-carbaldehyde
CID 175460538
6-(2,4,6-trichlorophenyl)pyridine-2-carbaldehyde
CID 134636818
3-(6-formyl-2-pyridinyl)prop-2-enenitrile
CID 169483263
6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde
CID 118413934
6-[4-[4-(2H-azirin-2-yl)phenoxy]phenyl]pyridine-2-carbaldehyde
CID 139382361
formaldehyde;6-pyrazol-1-ylpyridine-2-carbaldehyde
CID 175236947
6-[2-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbaldehyde
CID 142493126

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-formyl-2-pyridinyl)pyrazol-1-yl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[4-(6-formyl-2-pyridinyl)pyrazol-1-yl]cyclopropane-1-carbonitrile (CID 156568947) is 1-[4-(6-formyl-2-pyridinyl)pyrazol-1-yl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[4-(6-formyl-2-pyridinyl)pyrazol-1-yl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[4-(6-formyl-2-pyridinyl)pyrazol-1-yl]cyclopropane-1-carbonitrile is N#CC1(n2cc(-c3cccc(C=O)n3)cn2)CC1.
What is the InChIKey of 1-[4-(6-formyl-2-pyridinyl)pyrazol-1-yl]cyclopropane-1-carbonitrile?
The InChIKey is JDBOKGYDGRCADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c14-9-13(4-5-13)17-7-10(6-15-17)12-3-1-2-11(8-18)16-12/h1-3,6-8H,4-5H2.
What are the key properties of 1-[4-(6-formyl-2-pyridinyl)pyrazol-1-yl]cyclopropane-1-carbonitrile?
1-[4-(6-formyl-2-pyridinyl)pyrazol-1-yl]cyclopropane-1-carbonitrile has a molecular weight of 238.25 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-formyl-2-pyridinyl)pyrazol-1-yl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 156568947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).