2-[4-(2-chloroethyl)-5-cyclopropyl-1H-pyrazol-3-yl]pyrazine

C12H13ClN4 — CID 121212324

IUPAC2-[4-(2-chloroethyl)-5-cyclopropyl-1H-pyrazol-3-yl]pyrazine
SMILESClCCc1c(-c2cnccn2)n[nH]c1C1CC1
InChIInChI=1S/C12H13ClN4/c13-4-3-9-11(8-1-2-8)16-17-12(9)10-7-14-5-6-15-10/h5-8H,1-4H2,(H,16,17)
InChIKeyRWDXYNSZOCJECN-UHFFFAOYSA-N
MW248.72 g/mol
LogP2.53
Rot. Bonds4

About 2-[4-(2-chloroethyl)-5-cyclopropyl-1H-pyrazol-3-yl]pyrazine

2-[4-(2-chloroethyl)-5-cyclopropyl-1H-pyrazol-3-yl]pyrazine (PubChem CID 121212324) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is 2-[4-(2-chloroethyl)-5-cyclopropyl-1H-pyrazol-3-yl]pyrazine.

Molecular Properties

Compound Name2-[4-(2-chloroethyl)-5-cyclopropyl-1H-pyrazol-3-yl]pyrazine
PubChem CID121212324
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name2-[4-(2-chloroethyl)-5-cyclopropyl-1H-pyrazol-3-yl]pyrazine
SMILESClCCc1c(-c2cnccn2)n[nH]c1C1CC1
InChIInChI=1S/C12H13ClN4/c13-4-3-9-11(8-1-2-8)16-17-12(9)10-7-14-5-6-15-10/h5-8H,1-4H2,(H,16,17)
InChIKeyRWDXYNSZOCJECN-UHFFFAOYSA-N
XLogP2.53
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(bromomethyl)-5-cyclopropyl-1H-pyrazol-3-yl]pyrazine
CID 121211404
4-(2-chloroethyl)-5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazole
CID 121213131
(5-cyclobutyl-3-pyridin-3-yl-1H-pyrazol-4-yl)methanol
CID 121212148
4-(chloromethyl)-2-pyrazin-2-yl-1,3-thiazole
CID 23025076
2-cyclopropyl-N,5-dimethyl-6-pyrazin-2-ylpyrimidin-4-amine
CID 80976398
2-(3-pyrazin-2-yl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethanamine
CID 59811041
5-cyclopropyl-4-propyl-1H-pyrazol-3-amine
CID 79406037
tris(2-pyrazin-2-ylpyrazine);ruthenium(1+)
CID 138986841
(2-cyclopropyl-6-pyrazin-2-ylpyrimidin-4-yl)methanamine
CID 121206857
7,7-dimethyl-2-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 72843319
2-(3,5-dicyclopropyl-1H-pyrazol-4-yl)ethanol
CID 121213065
(2,3-dichlorophenyl)-(7-methyl-3-pyrazin-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone
CID 90455814

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloroethyl)-5-cyclopropyl-1H-pyrazol-3-yl]pyrazine?
The IUPAC name of 2-[4-(2-chloroethyl)-5-cyclopropyl-1H-pyrazol-3-yl]pyrazine (CID 121212324) is 2-[4-(2-chloroethyl)-5-cyclopropyl-1H-pyrazol-3-yl]pyrazine.
What is the SMILES notation for 2-[4-(2-chloroethyl)-5-cyclopropyl-1H-pyrazol-3-yl]pyrazine?
The canonical SMILES for 2-[4-(2-chloroethyl)-5-cyclopropyl-1H-pyrazol-3-yl]pyrazine is ClCCc1c(-c2cnccn2)n[nH]c1C1CC1.
What is the InChIKey of 2-[4-(2-chloroethyl)-5-cyclopropyl-1H-pyrazol-3-yl]pyrazine?
The InChIKey is RWDXYNSZOCJECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c13-4-3-9-11(8-1-2-8)16-17-12(9)10-7-14-5-6-15-10/h5-8H,1-4H2,(H,16,17).
What are the key properties of 2-[4-(2-chloroethyl)-5-cyclopropyl-1H-pyrazol-3-yl]pyrazine?
2-[4-(2-chloroethyl)-5-cyclopropyl-1H-pyrazol-3-yl]pyrazine has a molecular weight of 248.72 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloroethyl)-5-cyclopropyl-1H-pyrazol-3-yl]pyrazine is sourced from PubChem (CID 121212324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).